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LongText Report for: 3C5V-pdb

Name Class
3C5V-pdb
HEADER    HYDROLASE                               01-FEB-08   3C5V              
TITLE     PP2A-SPECIFIC METHYLESTERASE APO FORM (PME)                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN PHOSPHATASE METHYLESTERASE 1;                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: PME-1;                                                      
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 GENE: PPME1, PME1;                                                   
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI                                  
KEYWDS    DEMETHYLASE, PP2A, ALTERNATIVE SPLICING, HYDROLASE,                   
KEYWDS   2 PHOSPHOPROTEIN, SERINE ESTERASE                                      
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Y.XING,Z.LI,Y.CHEN,J.STOCK,P.D.JEFFREY,Y.SHI                          
REVDAT   1   15-APR-08 3C5V    0                                                
JRNL        AUTH   Y.XING,Z.LI,Y.CHEN,J.STOCK,P.D.JEFFREY,Y.SHI                 
JRNL        TITL   STRUCTURAL MECHANISM OF DEMETHYLATION AND                    
JRNL        TITL 2 INACTIVATION OF PROTEIN PHOSPHATASE 2A                       
JRNL        REF    CELL(CAMBRIDGE,MASS.)         V. 133   154 2008              
JRNL        REFN   ASTM CELLB5  US ISSN 0092-8674                               
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. 2.00 ANGSTROMS.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.2                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,             
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.90                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 1749029.610                    
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 99.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 24574                          
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 SET) : 0.183                           
REMARK   3   FREE R VALUE                     : 0.220                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.800                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1191                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.006                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 6                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.00                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.13                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 99.10                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 3821                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2110                       
REMARK   3   BIN FREE R VALUE                    : 0.2550                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 4.90                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 196                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.018                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2278                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 283                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 16.80                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 25.10                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -1.43000                                             
REMARK   3    B22 (A**2) : -1.43000                                             
REMARK   3    B33 (A**2) : 2.87000                                              
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 COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.20                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.11                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.25                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.17                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.007                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.30                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 22.70                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.78                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 2.160 ; 2.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 3.010 ; 3.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 3.500 ; 3.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 4.880 ; 3.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.40                                                 
REMARK   3   BSOL        : 60.34                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : DNA-RNA_REP.PARAM                              
REMARK   3  PARAMETER FILE  3  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  4  : ION.PARAM                                      
REMARK   3  PARAMETER FILE  5  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : NULL                                           
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3  TOPOLOGY FILE  4   : NULL                                           
REMARK   3  TOPOLOGY FILE  5   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED                   
REMARK   4                                                                      
REMARK   4 3C5V COMPLIES WITH FORMAT V. 3.1, 01-AUG-2007                        
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB.                               
REMARK 100 THE RCSB ID CODE IS RCSB046379.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 10-MAR-2005; 18-MAR-2005           
REMARK 200  TEMPERATURE           (KELVIN) : 100; 100                           
REMARK 200  PH                             : 7.50                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y; Y                               
REMARK 200  RADIATION SOURCE               : NSLS; NSLS                         
REMARK 200  BEAMLINE                       : X25; X25                           
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M; M                               
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.10; 0.97945, 0.97910,            
REMARK 200                                   0.96410                            
REMARK 200  MONOCHROMATOR                  : SI(111); SI(111)                   
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD; CCD                           
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315; ADSC             
REMARK 200                                   QUANTUM 315                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 25077                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.000                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 100.000                            
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY                : 4.300                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.07400                            
REMARK 200   FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.07                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 97.3                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.29300                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; MAD                         
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD                          
REMARK 200 SOFTWARE USED: SHELXS                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 52.13                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.57                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 26% V/V JEFFAMINE-2001, 200MM            
REMARK 280  SODIUM CHLORIDE, 5MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING          
REMARK 280  DROP, TEMPERATURE 277K                                              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,1/3+Z                                            
REMARK 290       3555   -X+Y,-X,2/3+Z                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,2/3-Z                                            
REMARK 290       6555   -X,-X+Y,1/3-Z                                           
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       30.28100            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       60.56200            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       60.56200            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       30.28100            
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: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                 
REMARK 465                                                                      
REMARK 465   M RES C  SSEQI                                                     
REMARK 465     GLY A   240                                                      
REMARK 465     ILE A   241                                                      
REMARK 465     THR A   242                                                      
REMARK 465     SER A   243                                                      
REMARK 465     PRO A   244                                                      
REMARK 465     GLU A   245                                                      
REMARK 465     GLY A   246                                                      
REMARK 465     SER A   247                                                      
REMARK 465     LYS A   248                                                      
REMARK 465     LYS A   281                                                      
REMARK 465     ASP A   282                                                      
REMARK 465     HIS A   283                                                      
REMARK 465     GLY A   377                                                      
REMARK 465     GLY A   378                                                      
REMARK 465     PHE A   379                                                      
REMARK 465     GLN A   380                                                      
REMARK 465     CYS A   381                                                      
REMARK 465     VAL A   382                                                      
REMARK 465     PHE A   383                                                      
REMARK 465     PRO A   384                                                      
REMARK 465     GLY A   385                                                      
REMARK 465     CYS A   386                                                      
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    HIS A  87     -157.60   -100.92                                   
REMARK 500    SER A 156     -117.52     47.69                                   
REMARK 500    ALA A 321      -76.33   -140.75                                   
REMARK 500    HIS A 349     -108.23   -107.72                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3C5W   RELATED DB: PDB                                   
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 PME-1 WITH INTERNAL PROTEOLYTIC DELETION (DELTA 249-280)             
DBREF  3C5V A   39   248  UNP    Q9Y570   PPME1_HUMAN     39    248             
DBREF  3C5V A  281   386  UNP    Q9Y570   PPME1_HUMAN    281    386             
SEQRES   1 A  316  ARG ASP PHE SER PRO VAL PRO TRP SER GLN TYR PHE GLU          
SEQRES   2 A  316  SER MET GLU ASP VAL GLU VAL GLU ASN GLU THR GLY LYS          
SEQRES   3 A  316  ASP THR PHE ARG VAL TYR LYS SER GLY SER GLU GLY PRO          
SEQRES   4 A  316  VAL LEU LEU LEU LEU HIS GLY GLY GLY HIS SER ALA LEU          
SEQRES   5 A  316  SER TRP ALA VAL PHE THR ALA ALA ILE ILE SER ARG VAL          
SEQRES   6 A  316  GLN CYS ARG ILE VAL ALA LEU ASP LEU ARG SER HIS GLY          
SEQRES   7 A  316  GLU THR LYS VAL LYS ASN PRO GLU ASP LEU SER ALA GLU          
SEQRES   8 A  316  THR MET ALA LYS ASP VAL GLY ASN VAL VAL GLU ALA MET          
SEQRES   9 A  316  TYR GLY ASP LEU PRO PRO PRO ILE MET LEU ILE GLY HIS          
SEQRES  10 A  316  SER MET GLY GLY ALA ILE ALA VAL HIS THR ALA SER SER          
SEQRES  11 A  316  ASN LEU VAL PRO SER LEU LEU GLY LEU CYS MET ILE ASP          
SEQRES  12 A  316  VAL VAL GLU GLY THR ALA MET ASP ALA LEU ASN SER MET          
SEQRES  13 A  316  GLN ASN PHE LEU ARG GLY ARG PRO LYS THR PHE LYS SER          
SEQRES  14 A  316  LEU GLU ASN ALA ILE GLU TRP SER VAL LYS SER GLY GLN          
SEQRES  15 A  316  ILE ARG ASN LEU GLU SER ALA ARG VAL SER MET VAL GLY          
SEQRES  16 A  316  GLN VAL LYS GLN CYS GLU GLY ILE THR SER PRO GLU GLY          
SEQRES  17 A  316  SER LYS LYS ASP HIS PRO TYR THR TRP ARG ILE GLU LEU          
SEQRES  18 A  316  ALA LYS THR GLU LYS TYR TRP ASP GLY TRP PHE ARG GLY          
SEQRES  19 A  316  LEU SER ASN LEU PHE LEU SER CYS PRO ILE PRO LYS LEU          
SEQRES  20 A  316  LEU LEU LEU ALA GLY VAL ASP ARG LEU ASP LYS ASP LEU          
SEQRES  21 A  316  THR ILE GLY GLN MET GLN GLY LYS PHE GLN MET GLN VAL          
SEQRES  22 A  316  LEU PRO GLN CYS GLY HIS ALA VAL HIS GLU ASP ALA PRO          
SEQRES  23 A  316  ASP LYS VAL ALA GLU ALA VAL ALA THR PHE LEU ILE ARG          
SEQRES  24 A  316  HIS ARG PHE ALA GLU PRO ILE GLY GLY PHE GLN CYS VAL          
SEQRES  25 A  316  PHE PRO GLY CYS                                              
FORMUL   2  HOH   *283(H2 O)                                                    
HELIX    1   1 PRO A   45  TYR A   49  5                                   5    
HELIX    2   2 SER A   88  SER A   91  5                                   4    
HELIX    3   3 TRP A   92  SER A  101  1                                  10    
HELIX    4   4 SER A  127  GLY A  144  1                                  18    
HELIX    5   5 SER A  156  SER A  168  1                                  13    
HELIX    6   6 VAL A  183  ARG A  201  1                                  19    
HELIX    7   7 SER A  207  SER A  218  1                                  12    
HELIX    8   8 ASN A  223  GLN A  234  1                                  12    
HELIX    9   9 GLU A  290  LYS A  293  5                                   4    
HELIX   10  10 THR A  294  ARG A  303  1                                  10    
HELIX   11  11 GLY A  304  CYS A  312  1                                   9    
HELIX   12  12 ASP A  327  GLN A  336  1                                  10    
HELIX   13  13 ALA A  350  ALA A  355  1                                   6    
HELIX   14  14 ALA A  355  HIS A  370  1                                  16    
SHEET    1   A 8 SER A  52  ASN A  60  0                                        
SHEET    2   A 8 GLY A  63  SER A  72 -1  O  ASP A  65   N  VAL A  58           
SHEET    3   A 8 ARG A 106  LEU A 110 -1  O  ALA A 109   N  TYR A  70           
SHEET    4   A 8 VAL A  78  LEU A  82  1  N  LEU A  79   O  ARG A 106           
SHEET    5   A 8 ILE A 150  HIS A 155  1  O  ILE A 153   N  LEU A  82           
SHEET    6   A 8 LEU A 174  ILE A 180  1  O  LEU A 175   N  ILE A 150           
SHEET    7   A 8 LYS A 316  LEU A 320  1  O  LEU A 317   N  LEU A 177           
SHEET    8   A 8 GLN A 340  VAL A 343  1  O  GLN A 340   N  LYS A 316           
SHEET    1   B 2 VAL A 235  GLN A 237  0                                        
SHEET    2   B 2 TYR A 285  TRP A 287 -1  O  THR A 286   N  LYS A 236           
CRYST1   82.512   82.512   90.843  90.00  90.00 120.00 P 31 2 1      6          
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      0.012119  0.006997  0.000000        0.00000                         
SCALE2      0.000000  0.013994  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.011008        0.00000                         
TER    2279      ILE A 376                                                      
MASTER      286    0    0   14   10    0    0    6 2561    1    0   25          
END                                                                             

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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