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LongText Report for: 6eqf-pdb

Name Class
6eqf-pdb
HEADER    HYDROLASE                               12-OCT-17   6EQF              
TITLE     CRYSTAL STRUCTURE OF A POLYETHYLENE TEREPHTHALATE DEGRADING HYDROLASE 
TITLE    2 FROM IDEONELLA SAKAIENSIS IN SPACEGROUP P212121                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: POLY(ETHYLENE TEREPHTHALATE) HYDROLASE;                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: PETASE;                                                     
COMPND   5 EC: 3.1.1.101;                                                       
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: IDEONELLA SAKAIENSIS;                           
SOURCE   3 ORGANISM_TAXID: 1547922;                                             
SOURCE   4 GENE: ISF6_4831;                                                     
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: C41                                        
KEYWDS    PETASE, PET DEGRADATION, A/B HYDROLASE, HYDROLASE                     
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    H.P.AUSTIN,M.D.ALLEN,C.W.JOHNSON,G.T.BECKHAM,J.E.MCGEEHAN             
REVDAT   1   25-APR-18 6EQF    0                                                
JRNL        AUTH   H.P.AUSTIN,M.D.ALLEN,B.DONOHOE,N.RORRER,F.KEARNS,R.SILVEIRA, 
JRNL        AUTH 2 B.POLLARD,G.DOMINICK,R.DUMAN,K.EL OMARI,V.MYKHAYLYK,         
JRNL        AUTH 3 A.WAGNER,W.MICHENER,A.AMORE,M.SKAF,M.CROWLEY,A.THORNE,       
JRNL        AUTH 4 C.JOHNSON,H.WOODCOCK,J.MCGEEHAN,G.T.BECKHAM                  
JRNL        TITL   CHARACTERIZATION AND ENGINEERING OF A PLASTIC-DEGRADING      
JRNL        TITL 2 AROMATIC POLYESTERASE                                        
JRNL        REF    PROC.NATL.ACAD.SCI.USA                     2018              
JRNL        REFN                   ESSN 1091-6490                               
JRNL        DOI    10.1073/PNAS.1718804115                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.70 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.12_2829: ???)                              
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) : 1.70                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 46.73                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 25409                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.151                           
REMARK   3   R VALUE            (WORKING SET) : 0.149                           
REMARK   3   FREE R VALUE                     : 0.186                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.990                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1269                            
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 46.7496 -  3.5357    1.00     2843   153  0.1486 0.1698        
REMARK   3     2  3.5357 -  2.8065    1.00     2715   138  0.1467 0.1873        
REMARK   3     3  2.8065 -  2.4517    1.00     2676   153  0.1479 0.1771        
REMARK   3     4  2.4517 -  2.2276    1.00     2666   140  0.1422 0.1873        
REMARK   3     5  2.2276 -  2.0679    1.00     2672   124  0.1437 0.1806        
REMARK   3     6  2.0679 -  1.9460    1.00     2657   132  0.1490 0.1766        
REMARK   3     7  1.9460 -  1.8485    1.00     2668   140  0.1523 0.2200        
REMARK   3     8  1.8485 -  1.7681    1.00     2614   155  0.1582 0.2195        
REMARK   3     9  1.7681 -  1.7000    1.00     2629   134  0.1695 0.2306        
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)     : 0.160            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 16.370           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
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           2077                                  
REMARK   3   ANGLE     :  0.847           2841                                  
REMARK   3   CHIRALITY :  0.058            311                                  
REMARK   3   PLANARITY :  0.006            377                                  
REMARK   3   DIHEDRAL  :  2.366           2086                                  
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 6EQF COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 12-OCT-17.                  
REMARK 100 THE DEPOSITION ID IS D_1200007060.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 10-SEP-17                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : DIAMOND                            
REMARK 200  BEAMLINE                       : I03                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9763                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 6M                
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 25470                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.700                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 68.240                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.8                               
REMARK 200  DATA REDUNDANCY                : 5.700                              
REMARK 200  R MERGE                    (I) : 0.10700                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : 9.8000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.79                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 5.70                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.32300                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   FOR SHELL         : 4.700                              
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: 6EQD                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 32.10                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.81                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 NH4CL, 0.1 M MES, PH 6.0 20% PEG     
REMARK 280  6000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K               
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-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 -1.000000  0.000000  0.000000       25.67450            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       34.12000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       32.06500            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       34.12000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       25.67450            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       32.06500            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
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 TOTAL BURIED SURFACE AREA: 0 ANGSTROM**2                             
REMARK 350 SURFACE AREA OF THE COMPLEX: 9530 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL                          
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; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     ASN A     2                                                      
REMARK 465     PHE A     3                                                      
REMARK 465     PRO A     4                                                      
REMARK 465     ARG A     5                                                      
REMARK 465     ALA A     6                                                      
REMARK 465     SER A     7                                                      
REMARK 465     ARG A     8                                                      
REMARK 465     LEU A     9                                                      
REMARK 465     MET A    10                                                      
REMARK 465     GLN A    11                                                      
REMARK 465     ALA A    12                                                      
REMARK 465     ALA A    13                                                      
REMARK 465     VAL A    14                                                      
REMARK 465     LEU A    15                                                      
REMARK 465     GLY A    16                                                      
REMARK 465     GLY A    17                                                      
REMARK 465     LEU A    18                                                      
REMARK 465     MET A    19                                                      
REMARK 465     ALA A    20                                                      
REMARK 465     VAL A    21                                                      
REMARK 465     SER A    22                                                      
REMARK 465     ALA A    23                                                      
REMARK 465     ALA A    24                                                      
REMARK 465     ALA A    25                                                      
REMARK 465     THR A    26                                                      
REMARK 465     ALA A    27                                                      
REMARK 465     GLN A    28                                                      
REMARK 465     HIS A   298                                                      
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 A   516     O    HOH A   602              1.91            
REMARK 500   O    HOH A   575     O    HOH A   642              1.97            
REMARK 500   O    HOH A   535     O    HOH A   681              2.00            
REMARK 500   O    HOH A   651     O    HOH A   664              2.01            
REMARK 500   OD1  ASN A   212     O    HOH A   401              2.03            
REMARK 500   O    HOH A   461     O    HOH A   597              2.09            
REMARK 500   OE2  GLU A   274     O    HOH A   402              2.10            
REMARK 500   O    HOH A   451     O    HOH A   709              2.11            
REMARK 500   OE2  GLU A   274     O    HOH A   402              2.14            
REMARK 500   OG   SER A   223     O    HOH A   403              2.15            
REMARK 500   OG1  THR A    51     O    HOH A   404              2.17            
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   649     O    HOH A   718     3554     2.03            
REMARK 500   O    HOH A   666     O    HOH A   712     2544     2.03            
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    ASN A  73       49.91   -144.46                                   
REMARK 500    THR A  88       -7.67     70.96                                   
REMARK 500    SER A 160     -118.67     62.29                                   
REMARK 500    SER A 214      -81.71   -130.14                                   
REMARK 500    SER A 214      -81.97   -129.98                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 301                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 6EQD   RELATED DB: PDB                                   
REMARK 900 INITAL STRUCTURE OF PETASE                                           
DBREF1 6EQF A    1   290  UNP                  PETH_IDESA                       
DBREF2 6EQF A     A0A0K8P6T7                          1         290             
SEQADV 6EQF LEU A  291  UNP  A0A0K8P6T           EXPRESSION TAG                 
SEQADV 6EQF GLU A  292  UNP  A0A0K8P6T           EXPRESSION TAG                 
SEQADV 6EQF HIS A  293  UNP  A0A0K8P6T           EXPRESSION TAG                 
SEQADV 6EQF HIS A  294  UNP  A0A0K8P6T           EXPRESSION TAG                 
SEQADV 6EQF HIS A  295  UNP  A0A0K8P6T           EXPRESSION TAG                 
SEQADV 6EQF HIS A  296  UNP  A0A0K8P6T           EXPRESSION TAG                 
SEQADV 6EQF HIS A  297  UNP  A0A0K8P6T           EXPRESSION TAG                 
SEQADV 6EQF HIS A  298  UNP  A0A0K8P6T           EXPRESSION TAG                 
SEQRES   1 A  298  MET ASN PHE PRO ARG ALA SER ARG LEU MET GLN ALA ALA          
SEQRES   2 A  298  VAL LEU GLY GLY LEU MET ALA VAL SER ALA ALA ALA THR          
SEQRES   3 A  298  ALA GLN THR ASN PRO TYR ALA ARG GLY PRO ASN PRO THR          
SEQRES   4 A  298  ALA ALA SER LEU GLU ALA SER ALA GLY PRO PHE THR VAL          
SEQRES   5 A  298  ARG SER PHE THR VAL SER ARG PRO SER GLY TYR GLY ALA          
SEQRES   6 A  298  GLY THR VAL TYR TYR PRO THR ASN ALA GLY GLY THR VAL          
SEQRES   7 A  298  GLY ALA ILE ALA ILE VAL PRO GLY TYR THR ALA ARG GLN          
SEQRES   8 A  298  SER SER ILE LYS TRP TRP GLY PRO ARG LEU ALA SER HIS          
SEQRES   9 A  298  GLY PHE VAL VAL ILE THR ILE ASP THR ASN SER THR LEU          
SEQRES  10 A  298  ASP GLN PRO SER SER ARG SER SER GLN GLN MET ALA ALA          
SEQRES  11 A  298  LEU ARG GLN VAL ALA SER LEU ASN GLY THR SER SER SER          
SEQRES  12 A  298  PRO ILE TYR GLY LYS VAL ASP THR ALA ARG MET GLY VAL          
SEQRES  13 A  298  MET GLY TRP SER MET GLY GLY GLY GLY SER LEU ILE SER          
SEQRES  14 A  298  ALA ALA ASN ASN PRO SER LEU LYS ALA ALA ALA PRO GLN          
SEQRES  15 A  298  ALA PRO TRP ASP SER SER THR ASN PHE SER SER VAL THR          
SEQRES  16 A  298  VAL PRO THR LEU ILE PHE ALA CYS GLU ASN ASP SER ILE          
SEQRES  17 A  298  ALA PRO VAL ASN SER SER ALA LEU PRO ILE TYR ASP SER          
SEQRES  18 A  298  MET SER ARG ASN ALA LYS GLN PHE LEU GLU ILE ASN GLY          
SEQRES  19 A  298  GLY SER HIS SER CYS ALA ASN SER GLY ASN SER ASN GLN          
SEQRES  20 A  298  ALA LEU ILE GLY LYS LYS GLY VAL ALA TRP MET LYS ARG          
SEQRES  21 A  298  PHE MET ASP ASN ASP THR ARG TYR SER THR PHE ALA CYS          
SEQRES  22 A  298  GLU ASN PRO ASN SER THR ARG VAL SER ASP PHE ARG THR          
SEQRES  23 A  298  ALA ASN CYS SER LEU GLU HIS HIS HIS HIS HIS HIS              
HET     CL  A 301       1                                                       
HETNAM      CL CHLORIDE ION                                                     
FORMUL   2   CL    CL 1-                                                        
FORMUL   3  HOH   *325(H2 O)                                                    
HELIX    1 AA1 THR A   39  ALA A   45  1                                   7    
HELIX    2 AA2 ARG A   90  LYS A   95  1                                   6    
HELIX    3 AA3 TRP A   96  SER A  103  1                                   8    
HELIX    4 AA4 GLN A  119  GLY A  139  1                                  21    
HELIX    5 AA5 SER A  160  ASN A  173  1                                  14    
HELIX    6 AA6 SER A  214  MET A  222  1                                   9    
HELIX    7 AA7 ASN A  246  ASP A  263  1                                  18    
HELIX    8 AA8 ASP A  265  ARG A  267  5                                   3    
HELIX    9 AA9 TYR A  268  GLU A  274  1                                   7    
SHEET    1 AA1 6 VAL A  52  THR A  56  0                                        
SHEET    2 AA1 6 ALA A  65  PRO A  71 -1  O  VAL A  68   N  PHE A  55           
SHEET    3 AA1 6 VAL A 107  ASP A 112 -1  O  VAL A 108   N  TYR A  69           
SHEET    4 AA1 6 VAL A  78  VAL A  84  1  N  ILE A  81   O  ILE A 109           
SHEET    5 AA1 6 VAL A 149  GLY A 158  1  O  ASP A 150   N  VAL A  78           
SHEET    6 AA1 6 ALA A 178  ALA A 179  1  O  ALA A 178   N  VAL A 156           
SHEET    1 AA2 3 THR A 198  CYS A 203  0                                        
SHEET    2 AA2 3 LYS A 227  ILE A 232  1  O  ILE A 232   N  ALA A 202           
SHEET    3 AA2 3 VAL A 281  ALA A 287 -1  O  ARG A 285   N  PHE A 229           
SSBOND   1 CYS A  203    CYS A  239                          1555   1555  2.05  
SSBOND   2 CYS A  273    CYS A  289                          1555   1555  2.05  
SITE     1 AC1  4 TYR A  87  ARG A 132  SER A 160  MET A 161                    
CRYST1   51.349   64.130   68.240  90.00  90.00  90.00 P 21 21 21    4          
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      0.019475  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.015593  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.014654        0.00000                         
TER    2020      HIS A 297                                                      
MASTER      307    0    1    9    9    0    1    6 2318    1    4   23          
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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