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Database: PDB
Entry: 1PVX
LinkDB: 1PVX
Original site: 1PVX 
HEADER    HYDROLASE                               20-OCT-98   1PVX              
TITLE     DO-1,4-BETA-XYLANASE, ROOM TEMPERATURE, PH 4.5                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN (ENDO-1,4-BETA-XYLANASE);                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: XYLA;                                                       
COMPND   5 EC: 3.2.1.8                                                          
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: PAECILOMYCES VARIOTII;                          
SOURCE   3 ORGANISM_TAXID: 45996                                                
KEYWDS    THERMOPHILIC, XYLANASE, FAMILY-11 OF GLYCOSYL HYDROLASES, HYDROLASE   
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    P.RAJESHKUMAR,S.ESWARAMOORTHY,P.J.VITHAYATHIL,M.A.VISWAMITRA          
REVDAT   3   04-OCT-17 1PVX    1       REMARK                                   
REVDAT   2   24-FEB-09 1PVX    1       VERSN                                    
REVDAT   1   20-OCT-99 1PVX    0                                                
JRNL        AUTH   P.R.KUMAR,S.ESWARAMOORTHY,P.J.VITHAYATHIL,M.A.VISWAMITRA     
JRNL        TITL   THE TERTIARY STRUCTURE AT 1.59 A RESOLUTION AND THE PROPOSED 
JRNL        TITL 2 AMINO ACID SEQUENCE OF A FAMILY-11 XYLANASE FROM THE         
JRNL        TITL 3 THERMOPHILIC FUNGUS PAECILOMYCES VARIOTI BAINIER.            
JRNL        REF    J.MOL.BIOL.                   V. 295   581 2000              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   10623548                                                     
JRNL        DOI    10.1006/JMBI.1999.3348                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.59 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.851                                         
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.59                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 20.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 92.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 24200                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE            (WORKING SET) : 0.191                           
REMARK   3   FREE R VALUE                     : 0.219                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.000                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 2394                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
REMARK   3   BIN FREE R VALUE                    : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1486                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 128                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 19.23                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 23.56                          
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  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.015                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.300                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 27.64                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 2.170                           
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : TOPHCSDX.PRO                                   
REMARK   3  TOPOLOGY FILE  2   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURE WAS REFINED USING BOTH X-PLOR AND REFMAC. A BULK      
REMARK   3  SOLVENT                                                             
REMARK   3  CORRECTION WAS USED IN EACH CASE.                                   
REMARK   4                                                                      
REMARK   4 1PVX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-AUG-99.                  
REMARK 100 THE DEPOSITION ID IS D_1000007041.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 03-FEB-97                          
REMARK 200  TEMPERATURE           (KELVIN) : 293.0                              
REMARK 200  PH                             : 4.50                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU RU200                       
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : GRAPHITE CRYSTAL                   
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : AUTOMAR, XDS                       
REMARK 200  DATA SCALING SOFTWARE          : XDS                                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 24200                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.590                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 92.5                               
REMARK 200  DATA REDUNDANCY                : 5.130                              
REMARK 200  R MERGE                    (I) : 0.09300                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 25.7100                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.59                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.70                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 78.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.80                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.35800                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.190                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: AMORE                                                 
REMARK 200 STARTING MODEL: PDB ENTRY 1YNA                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 45.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.25                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PH 4.50                                  
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       19.38100            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       45.03200            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       27.02900            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       45.03200            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       19.38100            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       27.02900            
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 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    SER A   6   N   -  CA  -  CB  ANGL. DEV. = -11.6 DEGREES          
REMARK 500    SER A   6   CA  -  CB  -  OG  ANGL. DEV. =  16.6 DEGREES          
REMARK 500    TYR A  14   CB  -  CG  -  CD1 ANGL. DEV. =  -4.8 DEGREES          
REMARK 500    TYR A  77   CB  -  CG  -  CD1 ANGL. DEV. =  -3.7 DEGREES          
REMARK 500    ARG A  81   NE  -  CZ  -  NH1 ANGL. DEV. =   3.7 DEGREES          
REMARK 500    ARG A  81   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500    ARG A 141   NE  -  CZ  -  NH1 ANGL. DEV. =   4.9 DEGREES          
REMARK 500    ARG A 141   NE  -  CZ  -  NH2 ANGL. DEV. =  -4.2 DEGREES          
REMARK 500    ASP A 157   CB  -  CG  -  OD1 ANGL. DEV. =   6.7 DEGREES          
REMARK 500    ARG A 187   CD  -  NE  -  CZ  ANGL. DEV. =  10.4 DEGREES          
REMARK 500    ARG A 187   CD  -  NE  -  CZ  ANGL. DEV. =   9.6 DEGREES          
REMARK 500    ARG A 187   NE  -  CZ  -  NH1 ANGL. DEV. =   5.3 DEGREES          
REMARK 500    ARG A 187   NE  -  CZ  -  NH1 ANGL. DEV. =   4.7 DEGREES          
REMARK 500    ARG A 187   NE  -  CZ  -  NH2 ANGL. DEV. =  -4.5 DEGREES          
REMARK 500    ASP A 192   CB  -  CG  -  OD1 ANGL. DEV. =   6.1 DEGREES          
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   2      125.05    -26.18                                   
REMARK 500    TYR A 171     -136.78   -101.28                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1PVX A    1   194  UNP    P81536   XYNA_PAEVA       1    194             
SEQRES   1 A  194  GLY THR THR PRO ASN SER GLU GLY TRP HIS ASP GLY TYR          
SEQRES   2 A  194  TYR TYR SER TRP TRP SER ASP GLY GLY GLY ASP SER THR          
SEQRES   3 A  194  TYR THR ASN ASN SER GLY GLY THR TYR GLU ILE THR TRP          
SEQRES   4 A  194  GLY ASN GLY GLY ASN LEU VAL GLY GLY LYS GLY TRP ASN          
SEQRES   5 A  194  PRO GLY LEU ASN ALA ARG ALA ILE HIS PHE THR GLY VAL          
SEQRES   6 A  194  TYR GLN PRO ASN GLY THR SER TYR LEU SER VAL TYR GLY          
SEQRES   7 A  194  TRP THR ARG ASN PRO LEU VAL GLU TYR TYR ILE VAL GLU          
SEQRES   8 A  194  ASN PHE GLY SER SER ASN PRO SER SER GLY SER THR ASP          
SEQRES   9 A  194  LEU GLY THR VAL SER CYS ASP GLY SER THR TYR THR LEU          
SEQRES  10 A  194  GLY GLN SER THR ARG TYR ASN ALA PRO SER ILE ASP GLY          
SEQRES  11 A  194  THR GLN THR PHE ASN GLN TYR TRP SER VAL ARG GLN ASP          
SEQRES  12 A  194  LYS ARG SER SER GLY THR VAL GLN THR GLY CYS HIS PHE          
SEQRES  13 A  194  ASP ALA TRP ALA SER ALA GLY LEU ASN VAL THR GLY ASP          
SEQRES  14 A  194  HIS TYR TYR GLN ILE VAL ALA THR GLU GLY TYR PHE SER          
SEQRES  15 A  194  SER GLY TYR ALA ARG ILE THR VAL ALA ASP VAL GLY              
FORMUL   2  HOH   *128(H2 O)                                                    
HELIX    1   1 THR A  152  SER A  161  1                                  10    
SHEET    1   A 9 SER A   6  HIS A  10  0                                        
SHEET    2   A 9 TYR A  13  SER A  19 -1  N  TRP A  17   O  SER A   6           
SHEET    3   A 9 ASN A  44  TRP A  51 -1  N  GLY A  50   O  TYR A  14           
SHEET    4   A 9 GLN A 173  TYR A 180 -1  N  GLY A 179   O  LEU A  45           
SHEET    5   A 9 SER A  72  THR A  80 -1  N  TYR A  77   O  ILE A 174           
SHEET    6   A 9 VAL A  85  PHE A  93 -1  N  ASN A  92   O  LEU A  74           
SHEET    7   A 9 PHE A 134  ARG A 141  1  N  ASN A 135   O  GLU A  86           
SHEET    8   A 9 SER A 113  ARG A 122 -1  N  ARG A 122   O  PHE A 134           
SHEET    9   A 9 THR A 103  CYS A 110 -1  N  CYS A 110   O  SER A 113           
SHEET    1   B 5 SER A  25  ASN A  29  0                                        
SHEET    2   B 5 THR A  34  TRP A  39 -1  N  THR A  38   O  THR A  26           
SHEET    3   B 5 GLY A 184  ASP A 192 -1  N  ILE A 188   O  TYR A  35           
SHEET    4   B 5 ALA A  59  PRO A  68 -1  N  GLN A  67   O  TYR A 185           
SHEET    5   B 5 GLY A 148  GLN A 151 -1  N  VAL A 150   O  ILE A  60           
SHEET    1   C 2 ALA A 125  SER A 127  0                                        
SHEET    2   C 2 GLY A 130  GLN A 132 -1  N  GLN A 132   O  ALA A 125           
SSBOND   1 CYS A  110    CYS A  154                          1555   1555  2.03  
CISPEP   1 ASN A   52    PRO A   53          0         9.02                     
CISPEP   2 ASN A   82    PRO A   83          0        13.48                     
CRYST1   38.762   54.058   90.064  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      0.025798  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.018499  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.011103        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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