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LongText Report for: 3HZO-pdb

Name Class
3HZO-pdb
HEADER    HYDROLASE                               23-JUN-09   3HZO              
TITLE     RV0554 FROM MYCOBACTERIUM TUBERCULOSIS - THE STRUCTURE SOLVED FROM THE
TITLE    2 TETRAGONAL CRYSTAL FORM                                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN RV0554, PUTATIVE BROMOPEROXIDASE;                  
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: POSSIBLE PEROXIDASE BPOC (NON-HAEM PEROXIDASE);             
COMPND   5 EC: 1.11.1.-;                                                        
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS;                     
SOURCE   3 ORGANISM_TAXID: 1773;                                                
SOURCE   4 STRAIN: H37RV;                                                       
SOURCE   5 GENE: BPOC, MT0580, RV0554;                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    HYDROLASE, OXIDOREDUCTASE, PEROXIDASE                                 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.M.JOHNSTON,E.N.BAKER                                                
REVDAT   1   02-JUN-10 3HZO    0                                                
JRNL        AUTH   J.M.JOHNSTON,E.N.BAKER                                       
JRNL        TITL   THE STRUCTURE OF RV0554 FROM MYCOBACTERIUM TUBERCULOSIS      
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.5.0072                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 50.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 21496                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.166                           
REMARK   3   R VALUE            (WORKING SET) : 0.163                           
REMARK   3   FREE R VALUE                     : 0.228                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1099                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.60                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.67                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1138                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 75.40                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2380                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 54                           
REMARK   3   BIN FREE R VALUE                    : 0.3790                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 4101                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 16                                      
REMARK   3   SOLVENT ATOMS            : 260                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 30.87                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.29000                                             
REMARK   3    B22 (A**2) : -0.29000                                             
REMARK   3    B33 (A**2) : 0.59000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.540         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.282         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.177         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 8.310         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.953                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.913                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  4209 ; 0.023 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  5731 ; 1.921 ; 1.958       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   534 ; 6.359 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   193 ;34.864 ;23.212       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   628 ;17.329 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    37 ;19.486 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   637 ; 0.126 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  3296 ; 0.010 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  2671 ; 0.975 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  4285 ; 1.913 ; 2.000       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  1538 ; 3.313 ; 3.000       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  1446 ; 5.384 ; 4.500       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE          
REMARK   4                                                                      
REMARK   4 3HZO COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-JUN-09.                  
REMARK 100 THE RCSB ID CODE IS RCSB053780.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 02-OCT-07                          
REMARK 200  TEMPERATURE           (KELVIN) : 110                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU MICROMAX-007 HF             
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MAR SCANNER 345 MM PLATE           
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL                                
REMARK 200  DATA SCALING SOFTWARE          : HKL                                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 21551                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.8                               
REMARK 200  DATA REDUNDANCY                : 10.600                             
REMARK 200  R MERGE                    (I) : 0.13100                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : 20.4440                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.69                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 79.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.31800                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   FOR SHELL         : 3.100                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 53.74                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.66                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 95% (0.1 M NAAC PH 4.92, 5% MPD, 10%     
REMARK 280  ETHYLENE GLYCOL) AND 5 % TASCIMATE PH8.6, VAPOR DIFFUSION,          
REMARK 280  SITTING DROP, TEMPERATURE 291K                                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -Y+1/2,X+1/2,Z+1/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+3/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+1/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+3/4                                     
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z+1/2                                            
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       67.55600            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       50.38950            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       50.38950            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       33.77800            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       50.38950            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       50.38950            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000      101.33400            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       50.38950            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       50.38950            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       33.77800            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       50.38950            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       50.38950            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000      101.33400            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       67.55600            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 3940 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 21690 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A   -30                                                      
REMARK 465     SER A   -29                                                      
REMARK 465     TYR A   -28                                                      
REMARK 465     TYR A   -27                                                      
REMARK 465     HIS A   -26                                                      
REMARK 465     HIS A   -25                                                      
REMARK 465     HIS A   -24                                                      
REMARK 465     HIS A   -23                                                      
REMARK 465     HIS A   -22                                                      
REMARK 465     HIS A   -21                                                      
REMARK 465     ASP A   -20                                                      
REMARK 465     TYR A   -19                                                      
REMARK 465     ASP A   -18                                                      
REMARK 465     ILE A   -17                                                      
REMARK 465     PRO A   -16                                                      
REMARK 465     THR A   -15                                                      
REMARK 465     THR A   -14                                                      
REMARK 465     ALA A   262                                                      
REMARK 465     MET B   -30                                                      
REMARK 465     SER B   -29                                                      
REMARK 465     TYR B   -28                                                      
REMARK 465     TYR B   -27                                                      
REMARK 465     HIS B   -26                                                      
REMARK 465     HIS B   -25                                                      
REMARK 465     HIS B   -24                                                      
REMARK 465     HIS B   -23                                                      
REMARK 465     HIS B   -22                                                      
REMARK 465     HIS B   -21                                                      
REMARK 465     ASP B   -20                                                      
REMARK 465     TYR B   -19                                                      
REMARK 465     ASP B   -18                                                      
REMARK 465     ILE B   -17                                                      
REMARK 465     PRO B   -16                                                      
REMARK 465     THR B   -15                                                      
REMARK 465     THR B   -14                                                      
REMARK 465     GLU B   -13                                                      
REMARK 465     ASN B   -12                                                      
REMARK 465     LEU B   -11                                                      
REMARK 465     TYR B   -10                                                      
REMARK 465     PHE B    -9                                                      
REMARK 465     GLN B    -8                                                      
REMARK 465     GLY B    -7                                                      
REMARK 465     ALA B    -6                                                      
REMARK 465     MET B    -5                                                      
REMARK 465     ASP B    -4                                                      
REMARK 465     PRO B    -3                                                      
REMARK 465     GLU B    -2                                                      
REMARK 465     PHE B    -1                                                      
REMARK 465     ARG B     0                                                      
REMARK 465     VAL B     1                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    CYS A 186   CB    CYS A 186   SG      0.102                       
REMARK 500    GLU B 247   CG    GLU B 247   CD      0.111                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ASP A  -4   CB  -  CG  -  OD2 ANGL. DEV. =  -5.7 DEGREES          
REMARK 500    PRO B 216   C   -  N   -  CA  ANGL. DEV. =  10.0 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    GLN A  32      -61.23    -92.33                                   
REMARK 500    ASN A  48      155.17    -48.13                                   
REMARK 500    SER A  87     -123.63     66.64                                   
REMARK 500    ALA A 100       53.71   -140.60                                   
REMARK 500    ASP A 117     -169.15    -75.62                                   
REMARK 500    LEU A 240       37.05    -87.71                                   
REMARK 500    ASN B  48      156.61    -43.68                                   
REMARK 500    SER B  87     -114.28     61.73                                   
REMARK 500    ALA B 100       54.62   -144.08                                   
REMARK 500    MET B 168      -32.67    -39.44                                   
REMARK 500    LEU B 240       42.69   -102.11                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              NA A 265  NA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ALA A 223   O                                                      
REMARK 620 2 LEU A 226   O    79.9                                              
REMARK 620 3 HOH A 337   O    80.0 153.4                                        
REMARK 620 4 HOH A 336   O   139.3 104.6  80.2                                  
REMARK 620 5 GLY A 229   O    73.0  90.5  67.1  66.6                            
REMARK 620 N                    1     2     3     4                             
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 263                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 264                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 265                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MLA B 5188                
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: RCSB053538   RELATED DB: PDB                             
REMARK 900 RELATED ID: 3E3A RCSB048820   RELATED DB: PDB                        
REMARK 900 RELATED ID: RCSB053748   RELATED DB: PDB                             
DBREF  3HZO A    2   262  UNP    O06420   O06420_MYCTU     2    262             
DBREF  3HZO B    2   262  UNP    O06420   O06420_MYCTU     2    262             
SEQADV 3HZO MET A  -30  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO SER A  -29  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO TYR A  -28  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO TYR A  -27  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO HIS A  -26  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO HIS A  -25  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO HIS A  -24  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO HIS A  -23  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO HIS A  -22  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO HIS A  -21  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ASP A  -20  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO TYR A  -19  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ASP A  -18  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ILE A  -17  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO PRO A  -16  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO THR A  -15  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO THR A  -14  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO GLU A  -13  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ASN A  -12  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO LEU A  -11  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO TYR A  -10  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO PHE A   -9  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO GLN A   -8  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO GLY A   -7  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ALA A   -6  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO MET A   -5  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ASP A   -4  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO PRO A   -3  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO GLU A   -2  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO PHE A   -1  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ARG A    0  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO VAL A    1  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO MET B  -30  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO SER B  -29  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO TYR B  -28  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO TYR B  -27  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO HIS B  -26  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO HIS B  -25  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO HIS B  -24  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO HIS B  -23  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO HIS B  -22  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO HIS B  -21  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ASP B  -20  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO TYR B  -19  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ASP B  -18  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ILE B  -17  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO PRO B  -16  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO THR B  -15  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO THR B  -14  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO GLU B  -13  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ASN B  -12  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO LEU B  -11  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO TYR B  -10  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO PHE B   -9  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO GLN B   -8  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO GLY B   -7  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ALA B   -6  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO MET B   -5  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ASP B   -4  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO PRO B   -3  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO GLU B   -2  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO PHE B   -1  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO ARG B    0  UNP  O06420              EXPRESSION TAG                 
SEQADV 3HZO VAL B    1  UNP  O06420              EXPRESSION TAG                 
SEQRES   1 A  293  MET SER TYR TYR HIS HIS HIS HIS HIS HIS ASP TYR ASP          
SEQRES   2 A  293  ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA MET          
SEQRES   3 A  293  ASP PRO GLU PHE ARG VAL ILE ASN LEU ALA TYR ASP ASP          
SEQRES   4 A  293  ASN GLY THR GLY ASP PRO VAL VAL PHE ILE ALA GLY ARG          
SEQRES   5 A  293  GLY GLY ALA GLY ARG THR TRP HIS PRO HIS GLN VAL PRO          
SEQRES   6 A  293  ALA PHE LEU ALA ALA GLY TYR ARG CYS ILE THR PHE ASP          
SEQRES   7 A  293  ASN ARG GLY ILE GLY ALA THR GLU ASN ALA GLU GLY PHE          
SEQRES   8 A  293  THR THR GLN THR MET VAL ALA ASP THR ALA ALA LEU ILE          
SEQRES   9 A  293  GLU THR LEU ASP ILE ALA PRO ALA ARG VAL VAL GLY VAL          
SEQRES  10 A  293  SER MET GLY ALA PHE ILE ALA GLN GLU LEU MET VAL VAL          
SEQRES  11 A  293  ALA PRO GLU LEU VAL SER SER ALA VAL LEU MET ALA THR          
SEQRES  12 A  293  ARG GLY ARG LEU ASP ARG ALA ARG GLN PHE PHE ASN LYS          
SEQRES  13 A  293  ALA GLU ALA GLU LEU TYR ASP SER GLY VAL GLN LEU PRO          
SEQRES  14 A  293  PRO THR TYR ASP ALA ARG ALA ARG LEU LEU GLU ASN PHE          
SEQRES  15 A  293  SER ARG LYS THR LEU ASN ASP ASP VAL ALA VAL GLY ASP          
SEQRES  16 A  293  TRP ILE ALA MET PHE SER MET TRP PRO ILE LYS SER THR          
SEQRES  17 A  293  PRO GLY LEU ARG CYS GLN LEU ASP CYS ALA PRO GLN THR          
SEQRES  18 A  293  ASN ARG LEU PRO ALA TYR ARG ASN ILE ALA ALA PRO VAL          
SEQRES  19 A  293  LEU VAL ILE GLY PHE ALA ASP ASP VAL VAL THR PRO PRO          
SEQRES  20 A  293  TYR LEU GLY ARG GLU VAL ALA ASP ALA LEU PRO ASN GLY          
SEQRES  21 A  293  ARG TYR LEU GLN ILE PRO ASP ALA GLY HIS LEU GLY PHE          
SEQRES  22 A  293  PHE GLU ARG PRO GLU ALA VAL ASN THR ALA MET LEU LYS          
SEQRES  23 A  293  PHE PHE ALA SER VAL LYS ALA                                  
SEQRES   1 B  293  MET SER TYR TYR HIS HIS HIS HIS HIS HIS ASP TYR ASP          
SEQRES   2 B  293  ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA MET          
SEQRES   3 B  293  ASP PRO GLU PHE ARG VAL ILE ASN LEU ALA TYR ASP ASP          
SEQRES   4 B  293  ASN GLY THR GLY ASP PRO VAL VAL PHE ILE ALA GLY ARG          
SEQRES   5 B  293  GLY GLY ALA GLY ARG THR TRP HIS PRO HIS GLN VAL PRO          
SEQRES   6 B  293  ALA PHE LEU ALA ALA GLY TYR ARG CYS ILE THR PHE ASP          
SEQRES   7 B  293  ASN ARG GLY ILE GLY ALA THR GLU ASN ALA GLU GLY PHE          
SEQRES   8 B  293  THR THR GLN THR MET VAL ALA ASP THR ALA ALA LEU ILE          
SEQRES   9 B  293  GLU THR LEU ASP ILE ALA PRO ALA ARG VAL VAL GLY VAL          
SEQRES  10 B  293  SER MET GLY ALA PHE ILE ALA GLN GLU LEU MET VAL VAL          
SEQRES  11 B  293  ALA PRO GLU LEU VAL SER SER ALA VAL LEU MET ALA THR          
SEQRES  12 B  293  ARG GLY ARG LEU ASP ARG ALA ARG GLN PHE PHE ASN LYS          
SEQRES  13 B  293  ALA GLU ALA GLU LEU TYR ASP SER GLY VAL GLN LEU PRO          
SEQRES  14 B  293  PRO THR TYR ASP ALA ARG ALA ARG LEU LEU GLU ASN PHE          
SEQRES  15 B  293  SER ARG LYS THR LEU ASN ASP ASP VAL ALA VAL GLY ASP          
SEQRES  16 B  293  TRP ILE ALA MET PHE SER MET TRP PRO ILE LYS SER THR          
SEQRES  17 B  293  PRO GLY LEU ARG CYS GLN LEU ASP CYS ALA PRO GLN THR          
SEQRES  18 B  293  ASN ARG LEU PRO ALA TYR ARG ASN ILE ALA ALA PRO VAL          
SEQRES  19 B  293  LEU VAL ILE GLY PHE ALA ASP ASP VAL VAL THR PRO PRO          
SEQRES  20 B  293  TYR LEU GLY ARG GLU VAL ALA ASP ALA LEU PRO ASN GLY          
SEQRES  21 B  293  ARG TYR LEU GLN ILE PRO ASP ALA GLY HIS LEU GLY PHE          
SEQRES  22 B  293  PHE GLU ARG PRO GLU ALA VAL ASN THR ALA MET LEU LYS          
SEQRES  23 B  293  PHE PHE ALA SER VAL LYS ALA                                  
HET    EDO  A 263       4                                                       
HET    EDO  A 264       4                                                       
HET     NA  A 265       1                                                       
HET    MLA  B5188       7                                                       
HETNAM     EDO 1,2-ETHANEDIOL                                                   
HETNAM      NA SODIUM ION                                                       
HETNAM     MLA MALONIC ACID                                                     
HETSYN     EDO ETHYLENE GLYCOL                                                  
HETSYN     MLA DICARBOXYLIC ACID C3; PROPANEDIOLIC ACID;                        
HETSYN   2 MLA  METAHNEDICARBOXYLIC ACID                                        
FORMUL   3  EDO    2(C2 H6 O2)                                                  
FORMUL   5   NA    NA 1+                                                        
FORMUL   6  MLA    C3 H4 O4                                                     
FORMUL   7  HOH   *260(H2 O)                                                    
HELIX    1   1 ALA A   24  HIS A   29  5                                   6    
HELIX    2   2 GLN A   32  ALA A   39  1                                   8    
HELIX    3   3 ILE A   51  GLU A   55  5                                   5    
HELIX    4   4 THR A   61  ASP A   77  1                                  17    
HELIX    5   5 SER A   87  ALA A  100  1                                  14    
HELIX    6   6 ASP A  117  GLY A  134  1                                  18    
HELIX    7   7 PRO A  138  PHE A  151  1                                  14    
HELIX    8   8 SER A  152  ASN A  157  1                                   6    
HELIX    9   9 ASP A  158  TRP A  172  1                                  15    
HELIX   10  10 THR A  177  LEU A  184  1                                   8    
HELIX   11  11 LEU A  193  ILE A  199  5                                   7    
HELIX   12  12 PRO A  215  LEU A  226  1                                  12    
HELIX   13  13 LEU A  240  ARG A  245  1                                   6    
HELIX   14  14 ARG A  245  VAL A  260  1                                  16    
HELIX   15  15 ALA B   24  HIS B   29  5                                   6    
HELIX   16  16 GLN B   32  ALA B   39  1                                   8    
HELIX   17  17 ILE B   51  GLU B   55  5                                   5    
HELIX   18  18 THR B   61  LEU B   76  1                                  16    
HELIX   19  19 SER B   87  ALA B  100  1                                  14    
HELIX   20  20 ASP B  117  SER B  133  1                                  17    
HELIX   21  21 PRO B  138  PHE B  151  1                                  14    
HELIX   22  22 SER B  152  ASN B  157  1                                   6    
HELIX   23  23 ASP B  158  TRP B  172  1                                  15    
HELIX   24  24 THR B  177  LEU B  184  1                                   8    
HELIX   25  25 ARG B  192  ARG B  197  1                                   6    
HELIX   26  26 PRO B  215  LEU B  226  1                                  12    
HELIX   27  27 LEU B  240  ARG B  245  1                                   6    
HELIX   28  28 ARG B  245  ALA B  258  1                                  14    
SHEET    1   A 8 LEU A -11  MET A  -5  0                                        
SHEET    2   A 8 VAL A   1  ASN A   9 -1  O  ILE A   2   N  GLY A  -7           
SHEET    3   A 8 TYR A  41  PHE A  46 -1  O  THR A  45   N  ASP A   7           
SHEET    4   A 8 ASP A  13  ILE A  18  1  N  VAL A  15   O  ARG A  42           
SHEET    5   A 8 ALA A  81  VAL A  86  1  O  ARG A  82   N  VAL A  16           
SHEET    6   A 8 VAL A 104  MET A 110  1  O  MET A 110   N  GLY A  85           
SHEET    7   A 8 VAL A 203  PHE A 208  1  O  ILE A 206   N  LEU A 109           
SHEET    8   A 8 GLY A 229  ILE A 234  1  O  ARG A 230   N  VAL A 205           
SHEET    1   B 7 TYR B   6  ASN B   9  0                                        
SHEET    2   B 7 ARG B  42  PHE B  46 -1  O  THR B  45   N  ASP B   7           
SHEET    3   B 7 PRO B  14  ILE B  18  1  N  VAL B  15   O  ARG B  42           
SHEET    4   B 7 ALA B  81  VAL B  86  1  O  VAL B  84   N  ILE B  18           
SHEET    5   B 7 VAL B 104  MET B 110  1  O  VAL B 108   N  GLY B  85           
SHEET    6   B 7 VAL B 203  PHE B 208  1  O  LEU B 204   N  LEU B 109           
SHEET    7   B 7 GLY B 229  ILE B 234  1  O  LEU B 232   N  VAL B 205           
LINK         O   ALA A 223                NA    NA A 265     1555   1555  2.55  
LINK         O   LEU A 226                NA    NA A 265     1555   1555  2.45  
LINK        NA    NA A 265                 O   HOH A 337     1555   1555  2.73  
LINK        NA    NA A 265                 O   HOH A 336     1555   1555  2.20  
LINK         O   GLY A 229                NA    NA A 265     1555   1555  3.04  
CISPEP   1 ALA A   79    PRO A   80          0        -2.78                     
CISPEP   2 ALA B   79    PRO B   80          0        -8.40                     
SITE     1 AC1  5 TYR A   6  ASP A   7  THR A  45  PHE A  46                    
SITE     2 AC1  5 ASP A  47                                                     
SITE     1 AC2  6 PHE A  46  ASN A  48  ARG A  49  MET A  65                    
SITE     2 AC2  6 ASP A  68  THR A  69                                          
SITE     1 AC3  6 ALA A 223  ASP A 224  LEU A 226  GLY A 229                    
SITE     2 AC3  6 HOH A 336  HOH A 337                                          
SITE     1 AC4  9 ARG B  21  SER B  87  MET B  88  ARG B 120                    
SITE     2 AC4  9 PHE B 123  HIS B 239  HOH B 277  HOH B 278                    
SITE     3 AC4  9 HOH B 279                                                     
CRYST1  100.779  100.779  135.112  90.00  90.00  90.00 P 41 21 2    16          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.009923  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.009923  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007401        0.00000                         
TER    2112      LYS A 261                                                      
TER    4103      ALA B 262                                                      
MASTER      410    0    4   28   15    0    9    6 4377    2   22   46          
END                                                                             

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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