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LongText Report for: 7cg6-pdb

Name Class
7cg6-pdb
HEADER    HYDROLASE                               30-JUN-20   7CG6              
TITLE     VIGNA RADIATA EPOXIDE HYDROLASE MUTANT M263Q                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: EPOXIDE HYDROLASE;                                         
COMPND   3 CHAIN: B;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: VIGNA RADIATA;                                  
SOURCE   3 ORGANISM_COMMON: MUNG BEAN;                                          
SOURCE   4 ORGANISM_TAXID: 157791;                                              
SOURCE   5 GENE: EH2;                                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)                                  
KEYWDS    EPOXIDE HYDROLASE, HYDROLASE                                          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    F.L.LI,H.L.YU,J.H.XU                                                  
REVDAT   1   07-JUL-21 7CG6    0                                                
JRNL        AUTH   F.L.LI,Y.Y.QIU,Y.C.ZHENG,F.F.CHEN,X.D.KONG,J.H.XU,H.L.YU     
JRNL        TITL   REPROGRAMMING EPOXIDE HYDROLASE TO IMPROVE                   
JRNL        TITL 2 ENANTIOCONVERGENCE IN HYDROLYSIS OF STYRENE OXIDE SCAFFOLDS  
JRNL        REF    ADV.SYNTH.CATAL.              V. 362  4699 2021              
JRNL        REFN                   ESSN 1615-4169                               
JRNL        DOI    10.1002/ADSC.202000898                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.8.2_1309                                    
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 : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 34.11                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.330                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 94.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 21353                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.223                           
REMARK   3   R VALUE            (WORKING SET) : 0.219                           
REMARK   3   FREE R VALUE                     : 0.296                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.120                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1093                            
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 34.1100 -  3.9978    1.00     2898   131  0.1654 0.2186        
REMARK   3     2  3.9978 -  3.1739    0.96     2627   126  0.1840 0.2847        
REMARK   3     3  3.1739 -  2.7729    1.00     2670   164  0.2242 0.2809        
REMARK   3     4  2.7729 -  2.5195    0.99     2611   162  0.2580 0.3491        
REMARK   3     5  2.5195 -  2.3389    1.00     2642   147  0.2613 0.3191        
REMARK   3     6  2.3389 -  2.2010    0.74     1953   104  0.3294 0.4572        
REMARK   3     7  2.2010 -  2.0908    1.00     2631   136  0.2901 0.3434        
REMARK   3     8  2.0908 -  2.0000    0.85     2228   123  0.4212 0.4752        
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)     : 0.360            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 32.990           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 26.46                          
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      :  0.007           2635                                  
REMARK   3   ANGLE     :  1.066           3585                                  
REMARK   3   CHIRALITY :  0.073            377                                  
REMARK   3   PLANARITY :  0.006            464                                  
REMARK   3   DIHEDRAL  : 13.756            955                                  
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 7CG6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 01-JUL-20.                  
REMARK 100 THE DEPOSITION ID IS D_1300017550.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 05-JAN-18                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97918                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 22019                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.000                              
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     (%) : 97.1                               
REMARK 200  DATA REDUNDANCY                : 22.00                              
REMARK 200  R MERGE                    (I) : 0.05200                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : 46.6600                            
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) : 2.03                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 25.30                              
REMARK 200  R MERGE FOR SHELL          (I) : 0.85600                            
REMARK 200  R SYM FOR SHELL            (I) : 0.85600                            
REMARK 200   FOR SHELL         : 4.320                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 5Y6Y                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 42.20                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.13                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.15 M TRIS-HCL, PH 8.5, 35% PEG3350,    
REMARK 280  VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 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+3/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+1/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+3/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+1/4                                     
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       63.68850            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       35.40650            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       35.40650            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       95.53275            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       35.40650            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       35.40650            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       31.84425            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       35.40650            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       35.40650            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       95.53275            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       35.40650            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       35.40650            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       31.84425            
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       63.68850            
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: 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 B    -1                                                      
REMARK 465     GLY B     0                                                      
REMARK 465     LEU B   319                                                      
REMARK 465     GLN B   320                                                      
REMARK 465     HIS B   321                                                      
REMARK 465     HIS B   322                                                      
REMARK 465     HIS B   323                                                      
REMARK 465     HIS B   324                                                      
REMARK 465     HIS B   325                                                      
REMARK 465     HIS B   326                                                      
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   O    HOH B   575     O    HOH B   651              1.86            
REMARK 500   O    HOH B   503     O    HOH B   590              1.93            
REMARK 500   OE2  GLU B   159     O    HOH B   401              1.93            
REMARK 500   O    HOH B   470     O    HOH B   529              1.94            
REMARK 500   O    HOH B   508     O    HOH B   519              1.95            
REMARK 500   O    HOH B   457     O    HOH B   596              2.02            
REMARK 500   OE1  GLU B    23     O    HOH B   402              2.09            
REMARK 500   O    HOH B   445     O    HOH B   584              2.11            
REMARK 500   O    HOH B   527     O    HOH B   653              2.11            
REMARK 500   O    HOH B   601     O    HOH B   613              2.12            
REMARK 500   OD2  ASP B   313     O    HOH B   403              2.15            
REMARK 500   O    PHE B   187     O    HOH B   404              2.17            
REMARK 500   NH2  ARG B    50     O    HOH B   405              2.18            
REMARK 500   O    GLU B   221     O    HOH B   406              2.18            
REMARK 500   O    HOH B   596     O    HOH B   654              2.18            
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 B   561     O    HOH B   561     7555     1.43            
REMARK 500   O    HOH B   591     O    HOH B   597     4555     1.78            
REMARK 500   O    HOH B   589     O    HOH B   615     7555     2.03            
REMARK 500   O    HOH B   604     O    HOH B   623     5544     2.17            
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    PRO B  34       72.81   -101.99                                   
REMARK 500    GLU B  35     -159.50   -110.98                                   
REMARK 500    ASP B 101     -127.86     66.91                                   
REMARK 500    SER B 125      -59.27     74.93                                   
REMARK 500    THR B 266       31.99    -95.94                                   
REMARK 500    GLU B 287     -108.66    -76.38                                   
REMARK 500    ALA B 296     -142.03    -99.18                                   
REMARK 500    ALA B 303       61.15   -117.49                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF1 7CG6 B    5   318  UNP                  A0A0R5NGA4_VIGRA                 
DBREF2 7CG6 B     A0A0R5NGA4                          5         318             
SEQADV 7CG6 MET B   -1  UNP  A0A0R5NGA           INITIATING METHIONINE          
SEQADV 7CG6 GLY B    0  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQADV 7CG6 MET B    1  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQADV 7CG6 GLU B    2  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQADV 7CG6 GLU B    3  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQADV 7CG6 ILE B    4  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQADV 7CG6 GLN B  263  UNP  A0A0R5NGA MET   263 ENGINEERED MUTATION            
SEQADV 7CG6 LEU B  319  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQADV 7CG6 GLN B  320  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQADV 7CG6 HIS B  321  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQADV 7CG6 HIS B  322  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQADV 7CG6 HIS B  323  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQADV 7CG6 HIS B  324  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQADV 7CG6 HIS B  325  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQADV 7CG6 HIS B  326  UNP  A0A0R5NGA           EXPRESSION TAG                 
SEQRES   1 B  328  MET GLY MET GLU GLU ILE GLU HIS ARG THR VAL GLU VAL          
SEQRES   2 B  328  ASN GLY ILE LYS MET HIS VAL ALA GLU LYS GLY GLU GLY          
SEQRES   3 B  328  PRO VAL VAL LEU PHE LEU HIS GLY PHE PRO GLU LEU TRP          
SEQRES   4 B  328  TYR SER TRP ARG HIS GLN ILE LEU ALA LEU SER SER ARG          
SEQRES   5 B  328  GLY TYR ARG ALA VAL ALA PRO ASP LEU ARG GLY TYR GLY          
SEQRES   6 B  328  ASP THR GLU ALA PRO VAL SER ILE SER SER TYR THR GLY          
SEQRES   7 B  328  PHE HIS ILE VAL GLY ASP LEU ILE ALA LEU ILE ASP LEU          
SEQRES   8 B  328  LEU GLY VAL ASP GLN VAL PHE LEU VAL ALA HIS ASP TRP          
SEQRES   9 B  328  GLY ALA ILE ILE GLY TRP TYR LEU CYS THR PHE HIS PRO          
SEQRES  10 B  328  ASP ARG VAL LYS ALA TYR VAL CYS LEU SER VAL PRO LEU          
SEQRES  11 B  328  LEU HIS ARG ASP PRO ASN ILE ARG THR VAL ASP ALA MET          
SEQRES  12 B  328  ARG ALA MET TYR GLY ASP ASP TYR TYR ILE CYS ARG PHE          
SEQRES  13 B  328  GLN LYS PRO GLY GLU MET GLU ALA GLN MET ALA GLU VAL          
SEQRES  14 B  328  GLY THR GLU TYR VAL LEU LYS ASN ILE LEU THR THR ARG          
SEQRES  15 B  328  LYS PRO GLY PRO PRO ILE PHE PRO LYS GLY GLU TYR GLY          
SEQRES  16 B  328  THR GLY PHE ASN PRO ASP MET PRO ASN SER LEU PRO SER          
SEQRES  17 B  328  TRP LEU THR GLN ASP ASP LEU ALA TYR TYR VAL SER LYS          
SEQRES  18 B  328  TYR GLU LYS THR GLY PHE THR GLY PRO LEU ASN TYR TYR          
SEQRES  19 B  328  ARG ASN MET ASN LEU ASN TRP GLU LEU THR ALA PRO TRP          
SEQRES  20 B  328  SER GLY GLY LYS ILE GLN VAL PRO VAL LYS PHE ILE THR          
SEQRES  21 B  328  GLY GLU LEU ASP GLN VAL TYR THR SER LEU ASN MET LYS          
SEQRES  22 B  328  GLU TYR ILE HIS GLY GLY GLY PHE LYS GLN ASP VAL PRO          
SEQRES  23 B  328  ASN LEU GLU GLU VAL ILE VAL GLN LYS ASN VAL ALA HIS          
SEQRES  24 B  328  PHE ASN ASN GLN GLU ALA ALA GLU GLU ILE ASN ASN HIS          
SEQRES  25 B  328  ILE TYR ASP PHE ILE LYS LYS PHE LEU GLN HIS HIS HIS          
SEQRES  26 B  328  HIS HIS HIS                                                  
FORMUL   2  HOH   *257(H2 O)                                                    
HELIX    1 AA1 LEU B   36  SER B   39  5                                   4    
HELIX    2 AA2 TRP B   40  SER B   49  1                                  10    
HELIX    3 AA3 SER B   70  TYR B   74  5                                   5    
HELIX    4 AA4 THR B   75  GLY B   91  1                                  17    
HELIX    5 AA5 ASP B  101  HIS B  114  1                                  14    
HELIX    6 AA6 ARG B  136  GLY B  146  1                                  11    
HELIX    7 AA7 TYR B  149  PHE B  154  1                                   6    
HELIX    8 AA8 GLY B  158  GLY B  168  1                                  11    
HELIX    9 AA9 GLY B  168  THR B  178  1                                  11    
HELIX   10 AB1 THR B  209  GLY B  224  1                                  16    
HELIX   11 AB2 PHE B  225  ARG B  233  1                                   9    
HELIX   12 AB3 ASN B  234  THR B  242  1                                   9    
HELIX   13 AB4 ALA B  243  SER B  246  5                                   4    
HELIX   14 AB5 ASN B  269  GLY B  277  1                                   9    
HELIX   15 AB6 GLY B  277  VAL B  283  1                                   7    
HELIX   16 AB7 PHE B  298  ALA B  303  1                                   6    
HELIX   17 AB8 ALA B  303  LYS B  317  1                                  15    
SHEET    1 AA1 8 GLU B   5  VAL B  11  0                                        
SHEET    2 AA1 8 ILE B  14  LYS B  21 -1  O  GLU B  20   N  GLU B   5           
SHEET    3 AA1 8 ARG B  53  PRO B  57 -1  O  ALA B  54   N  LYS B  21           
SHEET    4 AA1 8 VAL B  26  LEU B  30  1  N  VAL B  27   O  ARG B  53           
SHEET    5 AA1 8 VAL B  95  HIS B 100  1  O  PHE B  96   N  LEU B  28           
SHEET    6 AA1 8 VAL B 118  LEU B 124  1  O  VAL B 122   N  LEU B  97           
SHEET    7 AA1 8 VAL B 254  GLY B 259  1  O  LYS B 255   N  TYR B 121           
SHEET    8 AA1 8 LEU B 286  GLN B 292  1  O  GLN B 292   N  THR B 258           
CISPEP   1 PHE B   33    PRO B   34          0        -9.71                     
CRYST1   70.813   70.813  127.377  90.00  90.00  90.00 P 43 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      0.014122  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.014122  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007851        0.00000                         
TER    2560      PHE B 318                                                      
MASTER      298    0    0   17    8    0    0    6 2816    1    0   26          
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.
For technical information about these pages see:
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