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LongText Report for: 7eoa-pdb

Name Class
7eoa-pdb
HEADER    HYDROLASE                               21-APR-21   7EOA              
TITLE     HR-PETASE FROM BACTERIUM HR29                                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: POLY(ETHYLENE TEREPHTHALATE) HYDROLASE;                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 EC: 3.1.1.101;                                                       
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACTERIUM HR29;                                 
SOURCE   3 ORGANISM_TAXID: 2035424;                                             
SOURCE   4 GENE: HRBIN29_00073;                                                 
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    PETASE, HYDROLASE                                                     
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.WANG,Y.H.WANG                                                       
REVDAT   1   27-APR-22 7EOA    0                                                
JRNL        AUTH   Y.H.WANG,J.WANG,D.M.LAN                                      
JRNL        TITL   CRYSTAL STRUCTURE OF BOMGL, A MONOACYLGLYCEROL LIPASE FROM   
JRNL        TITL 2 MARINE BACILLUS                                              
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.24 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.18.2_3874                                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : GEOSTD + MONOMER LIBRARY + CDL V1.2           
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.24                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 20.52                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 78769                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.169                           
REMARK   3   R VALUE            (WORKING SET) : 0.168                           
REMARK   3   FREE R VALUE                     : 0.187                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.980                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 3923                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 20.5200 -  3.7600    0.99     2973   157  0.1529 0.2012        
REMARK   3     2  3.7600 -  2.9900    1.00     2840   144  0.1564 0.1568        
REMARK   3     3  2.9900 -  2.6100    1.00     2759   155  0.1749 0.1933        
REMARK   3     4  2.6100 -  2.3700    1.00     2749   139  0.1719 0.1657        
REMARK   3     5  2.3700 -  2.2000    1.00     2713   143  0.1663 0.1985        
REMARK   3     6  2.2000 -  2.0700    1.00     2721   162  0.1661 0.1887        
REMARK   3     7  2.0700 -  1.9700    1.00     2694   146  0.1645 0.1654        
REMARK   3     8  1.9700 -  1.8800    1.00     2697   131  0.1697 0.1747        
REMARK   3     9  1.8800 -  1.8100    1.00     2674   151  0.1634 0.1823        
REMARK   3    10  1.8100 -  1.7500    1.00     2686   151  0.1717 0.1898        
REMARK   3    11  1.7500 -  1.6900    1.00     2672   126  0.1674 0.1870        
REMARK   3    12  1.6900 -  1.6400    1.00     2704   120  0.1702 0.1972        
REMARK   3    13  1.6400 -  1.6000    1.00     2701   130  0.1706 0.1899        
REMARK   3    14  1.6000 -  1.5600    1.00     2658   147  0.1630 0.1824        
REMARK   3    15  1.5600 -  1.5300    1.00     2661   155  0.1673 0.1774        
REMARK   3    16  1.5300 -  1.4900    1.00     2654   139  0.1662 0.1799        
REMARK   3    17  1.4900 -  1.4600    1.00     2651   140  0.1695 0.2157        
REMARK   3    18  1.4600 -  1.4400    1.00     2672   145  0.1721 0.1796        
REMARK   3    19  1.4400 -  1.4100    1.00     2629   148  0.1689 0.1998        
REMARK   3    20  1.4100 -  1.3900    1.00     2632   138  0.1668 0.2184        
REMARK   3    21  1.3900 -  1.3600    1.00     2652   153  0.1779 0.1815        
REMARK   3    22  1.3600 -  1.3400    1.00     2645   130  0.1866 0.2031        
REMARK   3    23  1.3400 -  1.3200    1.00     2636   132  0.1874 0.1991        
REMARK   3    24  1.3200 -  1.3100    0.99     2599   160  0.1950 0.2398        
REMARK   3    25  1.3100 -  1.2900    0.97     2571   125  0.2750 0.2936        
REMARK   3    26  1.2900 -  1.2700    0.98     2617   125  0.2235 0.2519        
REMARK   3    27  1.2700 -  1.2600    0.96     2542   122  0.2523 0.2382        
REMARK   3    28  1.2600 -  1.2400    0.92     2444   109  0.2664 0.2607        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.098            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 18.603           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 15.23                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 19.53                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.005           2028                                  
REMARK   3   ANGLE     :  0.897           2775                                  
REMARK   3   CHIRALITY :  0.078            315                                  
REMARK   3   PLANARITY :  0.008            363                                  
REMARK   3   DIHEDRAL  :  6.305            284                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 7EOA COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 22-APR-21.                  
REMARK 100 THE DEPOSITION ID IS D_1300021693.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 04-NOV-20                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9791                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS EIGER X 16M                
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS                            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 78799                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.240                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 27.840                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.3                               
REMARK 200  DATA REDUNDANCY                : 19.30                              
REMARK 200  R MERGE                    (I) : 0.04700                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : 30.8000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.24                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.27                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.42800                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHENIX                                                
REMARK 200 STARTING MODEL: 4EB0                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 49.35                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M TRIS-HCL PH 8.4, ETHANOL 19.5%      
REMARK 280  (V/V), VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 289K              
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       98.51500            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       26.24500            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       26.24500            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       49.25750            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       26.24500            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       26.24500            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000      147.77250            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       26.24500            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       26.24500            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       49.25750            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       26.24500            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       26.24500            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000      147.77250            
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       98.51500            
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 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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   NH1  ARG A   108     O    HOH A   401              1.94            
REMARK 500   NH1  ARG A    72     O    HOH A   402              2.01            
REMARK 500   O    HOH A   785     O    HOH A   786              2.01            
REMARK 500   O    HOH A   653     O    HOH A   755              2.08            
REMARK 500   O    HOH A   666     O    HOH A   747              2.08            
REMARK 500   O    HOH A   416     O    HOH A   717              2.13            
REMARK 500   O    HOH A   634     O    HOH A   646              2.13            
REMARK 500   O    HOH A   709     O    HOH A   775              2.14            
REMARK 500   OD2  ASP A    94     O    HOH A   403              2.15            
REMARK 500   O    HOH A   730     O    HOH A   774              2.18            
REMARK 500   O    HOH A   573     O    HOH A   656              2.18            
REMARK 500   O    HOH A   589     O    HOH A   705              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O    HOH A   528     O    HOH A   615     6475     2.03            
REMARK 500   O    HOH A   691     O    HOH A   779     1545     2.05            
REMARK 500   O    HOH A   413     O    HOH A   642     7466     2.07            
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    THR A  61      -11.45     75.16                                   
REMARK 500    SER A 130     -120.50     65.73                                   
REMARK 500    THR A 153       60.00     32.53                                   
REMARK 500    HIS A 183      -84.54   -124.07                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 785        DISTANCE =  5.82 ANGSTROMS                       
REMARK 525    HOH A 786        DISTANCE =  5.89 ANGSTROMS                       
REMARK 525    HOH A 787        DISTANCE =  6.06 ANGSTROMS                       
REMARK 525    HOH A 788        DISTANCE =  6.63 ANGSTROMS                       
REMARK 525    HOH A 789        DISTANCE =  6.68 ANGSTROMS                       
REMARK 525    HOH A 790        DISTANCE =  6.93 ANGSTROMS                       
DBREF1 7EOA A    1   258  UNP                  A0A2H5Z9R5_9BACT                 
DBREF2 7EOA A     A0A2H5Z9R5                         36         293             
SEQADV 7EOA LEU A  259  UNP  A0A2H5Z9R           EXPRESSION TAG                 
SEQRES   1 A  259  SER ASN PRO TYR GLN ARG GLY PRO ASN PRO THR ARG SER          
SEQRES   2 A  259  ALA LEU THR THR ASP GLY PRO PHE SER VAL ALA THR TYR          
SEQRES   3 A  259  SER VAL SER ARG LEU SER VAL SER GLY PHE GLY GLY GLY          
SEQRES   4 A  259  VAL ILE TYR TYR PRO THR GLY THR THR LEU THR PHE GLY          
SEQRES   5 A  259  GLY ILE ALA MET SER PRO GLY TYR THR ALA ASP ALA SER          
SEQRES   6 A  259  SER LEU ALA TRP LEU GLY ARG ARG LEU ALA SER HIS GLY          
SEQRES   7 A  259  PHE VAL VAL ILE VAL ILE ASN THR ASN SER ARG LEU ASP          
SEQRES   8 A  259  PHE PRO ASP SER ARG ALA SER GLN LEU SER ALA ALA LEU          
SEQRES   9 A  259  ASN TYR LEU ARG THR SER SER PRO SER ALA VAL ARG ALA          
SEQRES  10 A  259  ARG LEU ASP ALA ASN ARG LEU ALA VAL ALA GLY HIS SER          
SEQRES  11 A  259  MET GLY GLY GLY ALA THR LEU ARG ILE SER GLU GLN ILE          
SEQRES  12 A  259  PRO THR LEU LYS ALA GLY VAL PRO LEU THR PRO TRP HIS          
SEQRES  13 A  259  THR ASP LYS THR PHE ASN THR PRO VAL PRO GLN LEU ILE          
SEQRES  14 A  259  VAL GLY ALA GLU ALA ASP THR VAL ALA PRO VAL SER GLN          
SEQRES  15 A  259  HIS ALA ILE PRO PHE TYR GLN ASN LEU PRO SER THR THR          
SEQRES  16 A  259  PRO LYS VAL TYR VAL GLU LEU ASP ASN ALA THR HIS PHE          
SEQRES  17 A  259  ALA PRO ASN SER PRO ASN ALA ALA ILE SER VAL TYR THR          
SEQRES  18 A  259  ILE SER TRP MET LYS LEU TRP VAL ASP ASN ASP THR ARG          
SEQRES  19 A  259  TYR ARG GLN PHE LEU CYS ASN VAL ASN ASP PRO ALA LEU          
SEQRES  20 A  259  SER ASP PHE ARG SER ASN ASN ARG HIS CYS GLN LEU              
HET    EOH  A 301       9                                                       
HET    EOH  A 302       9                                                       
HETNAM     EOH ETHANOL                                                          
FORMUL   2  EOH    2(C2 H6 O)                                                   
FORMUL   4  HOH   *390(H2 O)                                                    
HELIX    1 AA1 ARG A   12  THR A   17  5                                   6    
HELIX    2 AA2 SER A   29  VAL A   33  5                                   5    
HELIX    3 AA3 ASP A   63  SER A   66  5                                   4    
HELIX    4 AA4 LEU A   67  HIS A   77  1                                  11    
HELIX    5 AA5 PHE A   92  SER A  110  1                                  19    
HELIX    6 AA6 PRO A  112  ALA A  117  1                                   6    
HELIX    7 AA7 SER A  130  ILE A  143  1                                  14    
HELIX    8 AA8 HIS A  183  LEU A  191  1                                   9    
HELIX    9 AA9 PHE A  208  SER A  212  5                                   5    
HELIX   10 AB1 ASN A  214  ASP A  230  1                                  17    
HELIX   11 AB2 ASP A  232  LEU A  239  5                                   8    
HELIX   12 AB3 ASN A  254  GLN A  258  5                                   5    
SHEET    1 AA1 6 SER A  22  VAL A  28  0                                        
SHEET    2 AA1 6 GLY A  39  THR A  45 -1  O  TYR A  43   N  ALA A  24           
SHEET    3 AA1 6 VAL A  80  ILE A  84 -1  O  VAL A  81   N  TYR A  42           
SHEET    4 AA1 6 PHE A  51  SER A  57  1  N  ILE A  54   O  ILE A  82           
SHEET    5 AA1 6 LEU A 119  HIS A 129  1  O  ASP A 120   N  PHE A  51           
SHEET    6 AA1 6 GLY A 149  LEU A 152  1  O  LEU A 152   N  GLY A 128           
SHEET    1 AA2 3 GLN A 167  ALA A 172  0                                        
SHEET    2 AA2 3 LYS A 197  LEU A 202  1  O  VAL A 200   N  GLY A 171           
SHEET    3 AA2 3 LEU A 247  SER A 252 -1  O  ARG A 251   N  TYR A 199           
SSBOND   1 CYS A  240    CYS A  257                          1555   1555  2.05  
CRYST1   52.490   52.490  197.030  90.00  90.00  90.00 P 41 21 2     8          
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      0.019051  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.019051  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.005075        0.00000                         
TER    1972      LEU A 259                                                      
MASTER      311    0    2   12    9    0    0    6 2367    1   20   20          
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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