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Database: PDB
Entry: 2BPS
LinkDB: 2BPS
Original site: 2BPS 
HEADER    UBIQUITIN                               22-APR-05   2BPS              
TITLE     UBIQUITIN-LIKE PROTEIN YUKD OF BACILLUS SUBTILIS                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: YUKD PROTEIN;                                              
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
SOURCE   3 ORGANISM_TAXID: 1423;                                                
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   6 EXPRESSION_SYSTEM_VARIANT: C41;                                      
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PHIS17                                    
KEYWDS    YUKD, UBIQUITIN-LIKE PROTEIN, UBIQUITIN                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    F.VAN DEN ENT,J.LOWE                                                  
REVDAT   3   24-JAN-18 2BPS    1       SOURCE JRNL                              
REVDAT   2   24-FEB-09 2BPS    1       VERSN                                    
REVDAT   1   04-JUL-05 2BPS    0                                                
JRNL        AUTH   F.VAN DEN ENT,J.LOWE                                         
JRNL        TITL   CRYSTAL STRUCTURE OF UBIQUITIN-LIKE PROTEIN YUKD FROM        
JRNL        TITL 2 BACILLUS SUBTILIS                                            
JRNL        REF    FEBS LETT.                    V. 579  3837 2005              
JRNL        REFN                   ISSN 0014-5793                               
JRNL        PMID   15978580                                                     
JRNL        DOI    10.1016/J.FEBSLET.2005.06.002                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.70 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : MAXIMUM LIKELYHOOD                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.70                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 200.00                         
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 10000.000                      
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 99.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 6703                           
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) : 0.241                           
REMARK   3   FREE R VALUE                     : 0.296                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 9.700                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 654                             
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           : 13                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.70                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.77                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 99.30                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 451                          
REMARK   3   BIN R VALUE           (WORKING SET) : 0.4030                       
REMARK   3   BIN FREE R VALUE                    : 0.4540                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 10.00                        
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 654                          
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            : 1300                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 7                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 65.70                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 53.30                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -15.14900                                            
REMARK   3    B22 (A**2) : -15.14900                                            
REMARK   3    B33 (A**2) : 30.29700                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
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) : 0.009                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.400                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
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  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   KSOL        : 0.34                                                 
REMARK   3   BSOL        : 29.02                                                
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  : WATER.PARAM                                    
REMARK   3  PARAMETER FILE  3  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3  TOPOLOGY FILE  2   : NULL                                           
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2BPS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 22-APR-05.                  
REMARK 100 THE DEPOSITION ID IS D_1290023709.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : NULL                               
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SRS                                
REMARK 200  BEAMLINE                       : PX14.2                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9700                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC CCD                           
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 6767                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.700                              
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     (%) : 99.3                               
REMARK 200  DATA REDUNDANCY                : 4.400                              
REMARK 200  R MERGE                    (I) : 0.08000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 12.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.70                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.84                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.3                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.41000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.700                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD                          
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 61.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.15                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -Y+1/2,X+1/2,Z+1/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+3/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+1/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+3/4                                     
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z+1/2                                            
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       87.55300            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       25.16400            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       25.16400            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       43.77650            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       25.16400            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       25.16400            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000      131.32950            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       25.16400            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       25.16400            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       43.77650            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       25.16400            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       25.16400            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000      131.32950            
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       87.55300            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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: PQS                                                   
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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PQS                                                   
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 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    LEU A   9       42.17    -93.27                                   
REMARK 500    TYR A  12     -122.86   -140.82                                   
REMARK 500    MET A  42      -79.02   -117.51                                   
REMARK 500    PRO A  43     -155.38    -90.12                                   
REMARK 500    SER B   1      122.29   -176.08                                   
REMARK 500    LEU B   9       42.82    -92.65                                   
REMARK 500    TYR B  12     -121.41   -140.11                                   
REMARK 500    SER B  41      -86.67    -59.41                                   
REMARK 500    ASN B  54        4.62    -59.37                                   
REMARK 500    CYS B  63      179.20    -49.37                                   
REMARK 500    LEU B  65      -70.94    -29.20                                   
REMARK 500    CYS B  68        3.24    -65.59                                   
REMARK 500    THR B  71     -146.25   -115.34                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2BPS A   -1     1  PDB    2BPS     2BPS            -1      1             
DBREF  2BPS A    2    79  UNP    P71071   P71071_BACSU     2     79             
DBREF  2BPS B   -1     1  PDB    2BPS     2BPS            -1      1             
DBREF  2BPS B    2    79  UNP    P71071   P71071_BACSU     2     79             
SEQRES   1 A   81  HIS GLY SER TYR ILE ASP ILE THR ILE ASP LEU LYS HIS          
SEQRES   2 A   81  TYR ASN GLY SER VAL PHE ASP LEU ARG LEU SER ASP TYR          
SEQRES   3 A   81  HIS PRO VAL LYS LYS VAL ILE ASP ILE ALA TRP GLN ALA          
SEQRES   4 A   81  GLN SER VAL SER MET PRO PRO ARG GLU GLY HIS TRP ILE          
SEQRES   5 A   81  ARG VAL VAL ASN LYS ASP LYS VAL PHE SER GLY GLU CYS          
SEQRES   6 A   81  LYS LEU SER ASP CYS GLY ILE THR ASN GLY ASP ARG LEU          
SEQRES   7 A   81  GLU ILE LEU                                                  
SEQRES   1 B   81  HIS GLY SER TYR ILE ASP ILE THR ILE ASP LEU LYS HIS          
SEQRES   2 B   81  TYR ASN GLY SER VAL PHE ASP LEU ARG LEU SER ASP TYR          
SEQRES   3 B   81  HIS PRO VAL LYS LYS VAL ILE ASP ILE ALA TRP GLN ALA          
SEQRES   4 B   81  GLN SER VAL SER MET PRO PRO ARG GLU GLY HIS TRP ILE          
SEQRES   5 B   81  ARG VAL VAL ASN LYS ASP LYS VAL PHE SER GLY GLU CYS          
SEQRES   6 B   81  LYS LEU SER ASP CYS GLY ILE THR ASN GLY ASP ARG LEU          
SEQRES   7 B   81  GLU ILE LEU                                                  
FORMUL   3  HOH   *7(H2 O)                                                      
HELIX    1   1 LYS A   28  GLN A   38  1                                  11    
HELIX    2   2 ASN A   54  ASP A   56  5                                   3    
HELIX    3   3 LEU A   65  GLY A   69  5                                   5    
HELIX    4   4 LYS B   28  GLN B   38  1                                  11    
HELIX    5   5 LEU B   65  GLY B   69  5                                   5    
SHEET    1  AA10 LYS A  57  SER A  60  0                                        
SHEET    2  AA10 TRP A  49  VAL A  52 -1  O  ILE A  50   N  PHE A  59           
SHEET    3  AA10 ARG A  75  ILE A  78 -1  O  GLU A  77   N  ARG A  51           
SHEET    4  AA10 TYR A   2  ASP A   8  1  O  THR A   6   N  LEU A  76           
SHEET    5  AA10 VAL A  16  SER A  22 -1  O  PHE A  17   N  ILE A   7           
SHEET    6  AA10 LYS B  57  PHE B  59  1  O  VAL B  58   N  ARG A  20           
SHEET    7  AA10 ILE B  50  VAL B  52 -1  O  ILE B  50   N  PHE B  59           
SHEET    8  AA10 ARG B  75  ILE B  78 -1  O  GLU B  77   N  ARG B  51           
SHEET    9  AA10 TYR B   2  ASP B   8  1  O  THR B   6   N  LEU B  76           
SHEET   10  AA10 VAL B  16  SER B  22 -1  O  PHE B  17   N  ILE B   7           
CISPEP   1 MET A   42    PRO A   43          0         0.24                     
CRYST1   50.328   50.328  175.106  90.00  90.00  90.00 P 41 21 2    16          
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      0.019870  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.019870  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.005711        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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