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LongText Report for: 5x88-pdb

Name Class
5x88-pdb
HEADER    HYDROLASE                               01-MAR-17   5X88              
TITLE     A CRYSTAL STRUCTURE OF CUTINASES FROM MALBRANCHEA CINNAMOMEA          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CUTINASE;                                                  
COMPND   3 CHAIN: A;                                                            
COMPND   4 EC: 3.1.1.74;                                                        
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MALBRANCHEA CINNAMOMEA;                         
SOURCE   3 ORGANISM_TAXID: 5041;                                                
SOURCE   4 EXPRESSION_SYSTEM: KOMAGATAELLA PASTORIS GS115;                      
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 644223                                      
KEYWDS    CUTINASE MALBRANCHEA CINNAMOMEA LIPOIDASE MONOMER, HYDROLASE          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Z.JIANG,S.Q.YANG,X.YOU,P.HUANG,J.W.MA                                 
REVDAT   1   31-JAN-18 5X88    0                                                
JRNL        AUTH   X.DUAN,Y.LIU,X.YOU,Z.JIANG,S.YANG,S.YANG                     
JRNL        TITL   HIGH-LEVEL EXPRESSION AND CHARACTERIZATION OF A NOVEL        
JRNL        TITL 2 CUTINASE FROM MALBRANCHEA CINNAMOMEA SUITABLE FOR BUTYL      
JRNL        TITL 3 BUTYRATE PRODUCTION.                                         
JRNL        REF    BIOTECHNOL BIOFUELS           V.  10   223 2017              
JRNL        REFN                   ESSN 1754-6834                               
JRNL        PMID   28932264                                                     
JRNL        DOI    10.1186/S13068-017-0912-Z                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.76 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX V1.11.1                                       
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 : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.76                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 28.30                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.0                           
REMARK   3   NUMBER OF REFLECTIONS             : 16775                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : NULL                            
REMARK   3   R VALUE            (WORKING SET) : 0.172                           
REMARK   3   FREE R VALUE                     : 0.175                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : NULL                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
REMARK   3   SOLVENT RADIUS     : NULL                                          
REMARK   3   SHRINKAGE RADIUS   : NULL                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : NULL             
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL             
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 15.65                          
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      :   NULL           NULL                                  
REMARK   3   ANGLE     :   NULL           NULL                                  
REMARK   3   CHIRALITY :   NULL           NULL                                  
REMARK   3   PLANARITY :   NULL           NULL                                  
REMARK   3   DIHEDRAL  :   NULL           NULL                                  
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 5X88 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 06-MAR-17.                  
REMARK 100 THE DEPOSITION ID IS D_1300003078.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 13-OCT-16                          
REMARK 200  TEMPERATURE           (KELVIN) : 80                                 
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) : 1.0                                
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 225 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 16910                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.760                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 28.300                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.0                               
REMARK 200  DATA REDUNDANCY                : 6.800                              
REMARK 200  R MERGE                    (I) : 0.06800                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : 266.8000                           
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.76                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.82                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
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: NULL                         
REMARK 200 SOFTWARE USED: PHENIX                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 37.35                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.96                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 3350,POTASSIUM CHLORIDE, VAPOR       
REMARK 280  DIFFUSION, SITTING DROP, TEMPERATURE 293K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 2 21                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-Z                                                 
REMARK 290       3555   X+1/2,-Y,-Z+1/2                                         
REMARK 290       4555   -X+1/2,-Y,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        0.00000            
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       17.20350            
REMARK 290   SMTRY2   3  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       63.98350            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       17.20350            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       63.98350            
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 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH A 207  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A 421  LIES ON A SPECIAL POSITION.                          
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     SER A     1                                                      
REMARK 465     PRO A     2                                                      
REMARK 465     VAL A     3                                                      
REMARK 465     ALA A     4                                                      
REMARK 465     VAL A     5                                                      
REMARK 465     GLU A     6                                                      
REMARK 465     LYS A     7                                                      
REMARK 465     ARG A     8                                                      
REMARK 465     GLN A     9                                                      
REMARK 465     ILE A    10                                                      
REMARK 465     PHE A    11                                                      
REMARK 465     GLY A    12                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     ASP A  50    CG   OD1  OD2                                       
REMARK 470     GLU A  55    CG   CD   OE1  OE2                                  
REMARK 470     GLU A  92    CD   OE1  OE2                                       
REMARK 470     ILE A 175    CG1  CG2  CD1                                       
REMARK 470     SER A 199    OG                                                  
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   232     O    HOH A   303              1.96            
REMARK 500   OD1  ASP A   192     O    HOH A   201              2.08            
REMARK 500   O    HOH A   251     O    HOH A   308              2.13            
REMARK 500   O    HOH A   218     O    HOH A   281              2.16            
REMARK 500   O    HOH A   365     O    HOH A   383              2.17            
REMARK 500   NH2  ARG A    54     O    HOH A   202              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    THR A  35       54.54     20.09                                   
REMARK 500    THR A  43      -95.83   -101.37                                   
REMARK 500    SER A 112     -121.25     58.01                                   
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 418        DISTANCE =  5.95 ANGSTROMS                       
REMARK 525    HOH A 419        DISTANCE =  6.50 ANGSTROMS                       
REMARK 525    HOH A 420        DISTANCE =  6.68 ANGSTROMS                       
REMARK 525    HOH A 421        DISTANCE =  7.24 ANGSTROMS                       
DBREF  5X88 A    1   199  PDB    5X88     5X88             1    199             
SEQRES   1 A  199  SER PRO VAL ALA VAL GLU LYS ARG GLN ILE PHE GLY PRO          
SEQRES   2 A  199  GLY ASP ASN ASP LEU ARG ASP GLY PRO CYS LYS ASP ILE          
SEQRES   3 A  199  THR PHE ILE PHE ALA ARG GLY SER THR GLU PRO GLY LEU          
SEQRES   4 A  199  MET GLY ILE THR VAL GLY PRO ASP THR CYS ASP GLU LEU          
SEQRES   5 A  199  ASN ARG GLU PHE ARG GLY ARG VAL ALA CYS GLN GLY VAL          
SEQRES   6 A  199  GLY PRO ARG TYR GLU ALA SER LEU ALA GLY ASN PHE LEU          
SEQRES   7 A  199  PRO ARG GLY THR THR GLN ALA ALA ILE ASP GLU ALA ALA          
SEQRES   8 A  199  GLU LEU PHE ASN LEU ALA HIS THR LYS CYS PRO ASN THR          
SEQRES   9 A  199  GLN ILE VAL GLY GLY GLY TYR SER GLN GLY ALA ALA VAL          
SEQRES  10 A  199  MET HIS GLY ALA ILE PRO GLY LEU SER ASN ALA VAL LYS          
SEQRES  11 A  199  ASP GLN ILE LYS GLY VAL VAL LEU TYR GLY ASP THR ARG          
SEQRES  12 A  199  ASN GLU GLN ASP GLY GLY ARG ILE PRO ASN PHE PRO THR          
SEQRES  13 A  199  ASP LYS THR ASN ILE ILE CYS ASN PRO GLY ASP LEU VAL          
SEQRES  14 A  199  CYS ASP GLY THR LEU ILE LEU THR ALA ALA HIS PHE THR          
SEQRES  15 A  199  TYR GLY THR ARG VAL ARG GLY ALA VAL ASP TRP LEU GLU          
SEQRES  16 A  199  ASP ARG LEU SER                                              
FORMUL   2  HOH   *221(H2 O)                                                    
HELIX    1 AA1 ASN A   16  GLY A   21  1                                   6    
HELIX    2 AA2 THR A   43  PHE A   56  1                                  14    
HELIX    3 AA3 SER A   72  LEU A   78  5                                   7    
HELIX    4 AA4 THR A   83  CYS A  101  1                                  19    
HELIX    5 AA5 SER A  112  ILE A  122  1                                  11    
HELIX    6 AA6 SER A  126  GLN A  132  1                                   7    
HELIX    7 AA7 PRO A  155  ASP A  157  5                                   3    
HELIX    8 AA8 ASP A  167  GLY A  172  5                                   6    
HELIX    9 AA9 THR A  177  THR A  185  5                                   9    
HELIX   10 AB1 ARG A  186  ASP A  196  1                                  11    
SHEET    1 AA1 5 VAL A  60  GLY A  64  0                                        
SHEET    2 AA1 5 ILE A  26  ALA A  31  1  N  ILE A  26   O  ALA A  61           
SHEET    3 AA1 5 GLN A 105  TYR A 111  1  O  VAL A 107   N  ILE A  29           
SHEET    4 AA1 5 ILE A 133  TYR A 139  1  O  TYR A 139   N  GLY A 110           
SHEET    5 AA1 5 THR A 159  ILE A 162  1  O  ILE A 162   N  LEU A 138           
SSBOND   1 CYS A   23    CYS A  101                          1555   1555  2.06  
SSBOND   2 CYS A   49    CYS A   62                          1555   1555  2.05  
CISPEP   1 GLY A   66    PRO A   67          0         8.40                     
CRYST1   34.407   37.815  127.967  90.00  90.00  90.00 P 21 2 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      0.029064  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.026445  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007815        0.00000                         
TER    1380      SER A 199                                                      
MASTER      276    0    0   10    5    0    0    6 1600    1    4   16          
END                                                                             

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