GenomeNet

Database: PDB
Entry: 1ILR
LinkDB: 1ILR
Original site: 1ILR 
HEADER    BINDING PROTEIN                         20-JUN-94   1ILR              
TITLE     CRYSTAL STRUCTURE OF THE INTERLEUKIN-1 RECEPTOR ANTAGONIST            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INTERLEUKIN-1 RECEPTOR ANTAGONIST PROTEIN;                 
COMPND   3 CHAIN: 1, 2;                                                         
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606                                                 
KEYWDS    BINDING PROTEIN                                                       
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    H.A.SCHREUDER,J.-M.RONDEAU,C.TARDIF                                   
REVDAT   3   29-NOV-17 1ILR    1       HELIX                                    
REVDAT   2   24-FEB-09 1ILR    1       VERSN                                    
REVDAT   1   07-FEB-95 1ILR    0                                                
JRNL        AUTH   H.A.SCHREUDER,J.M.RONDEAU,C.TARDIF,A.SOFFIENTINI,E.SARUBBI,  
JRNL        AUTH 2 A.AKESON,T.L.BOWLIN,S.YANOFSKY,R.W.BARRETT                   
JRNL        TITL   REFINED CRYSTAL STRUCTURE OF THE INTERLEUKIN-1 RECEPTOR      
JRNL        TITL 2 ANTAGONIST. PRESENCE OF A DISULFIDE LINK AND A CIS-PROLINE.  
JRNL        REF    EUR.J.BIOCHEM.                V. 227   838 1995              
JRNL        REFN                   ISSN 0014-2956                               
JRNL        PMID   7867645                                                      
JRNL        DOI    10.1111/J.1432-1033.1995.TB20209.X                           
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.10 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR                                               
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 8.00                           
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)   (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : 15610                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL                            
REMARK   3   R VALUE            (WORKING SET) : 0.197                           
REMARK   3   FREE R VALUE                     : NULL                            
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : NULL                            
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            : 2285                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 139                                     
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  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) : 0.008                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.500                           
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  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  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1ILR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 100 THE DEPOSITION ID IS D_1000174186.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : NULL                               
REMARK 200  TEMPERATURE           (KELVIN) : NULL                               
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : NULL                               
REMARK 200  RADIATION SOURCE               : NULL                               
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL                               
REMARK 200  WAVELENGTH OR RANGE        (A) : NULL                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : NULL                               
REMARK 200  DETECTOR MANUFACTURER          : NULL                               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : NULL                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : NULL                               
REMARK 200  RESOLUTION RANGE LOW       (A) : NULL                               
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
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  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: NULL                                           
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
REMARK 200 SOFTWARE USED: X-PLOR                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 43.39                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.17                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -Y+1/2,X+1/2,Z+3/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+1/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+3/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+1/4                                     
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z+1/2                                            
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       58.65000            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       35.65000            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       35.65000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       87.97500            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       35.65000            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       35.65000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       29.32500            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       35.65000            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       35.65000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       87.97500            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       35.65000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       35.65000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       29.32500            
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       58.65000            
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: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 1, 2                                  
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     ARG 1     1                                                      
REMARK 465     PRO 1     2                                                      
REMARK 465     SER 1     3                                                      
REMARK 465     GLY 1     4                                                      
REMARK 465     ARG 1     5                                                      
REMARK 465     LYS 1     6                                                      
REMARK 465     SER 1     7                                                      
REMARK 465     ARG 2     1                                                      
REMARK 465     PRO 2     2                                                      
REMARK 465     SER 2     3                                                      
REMARK 465     GLY 2     4                                                      
REMARK 465     ARG 2     5                                                      
REMARK 465     LYS 2     6                                                      
REMARK 465     SER 2     7                                                      
REMARK 465     SER 2     8                                                      
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 1  74    CG   OD1  OD2                                       
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    SER 1 132     -158.49   -143.91                                   
REMARK 500    GLU 1 139       31.06    -86.57                                   
REMARK 500    PRO 2  53      -81.19    -69.00                                   
REMARK 500    SER 2  72       78.45   -158.07                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1ILR 1    1   152  UNP    P18510   IL1RA_HUMAN     26    177             
DBREF  1ILR 2    1   152  UNP    P18510   IL1RA_HUMAN     26    177             
SEQRES   1 1  152  ARG PRO SER GLY ARG LYS SER SER LYS MET GLN ALA PHE          
SEQRES   2 1  152  ARG ILE TRP ASP VAL ASN GLN LYS THR PHE TYR LEU ARG          
SEQRES   3 1  152  ASN ASN GLN LEU VAL ALA GLY TYR LEU GLN GLY PRO ASN          
SEQRES   4 1  152  VAL ASN LEU GLU GLU LYS ILE ASP VAL VAL PRO ILE GLU          
SEQRES   5 1  152  PRO HIS ALA LEU PHE LEU GLY ILE HIS GLY GLY LYS MET          
SEQRES   6 1  152  CYS LEU SER CYS VAL LYS SER GLY ASP GLU THR ARG LEU          
SEQRES   7 1  152  GLN LEU GLU ALA VAL ASN ILE THR ASP LEU SER GLU ASN          
SEQRES   8 1  152  ARG LYS GLN ASP LYS ARG PHE ALA PHE ILE ARG SER ASP          
SEQRES   9 1  152  SER GLY PRO THR THR SER PHE GLU SER ALA ALA CYS PRO          
SEQRES  10 1  152  GLY TRP PHE LEU CYS THR ALA MET GLU ALA ASP GLN PRO          
SEQRES  11 1  152  VAL SER LEU THR ASN MET PRO ASP GLU GLY VAL MET VAL          
SEQRES  12 1  152  THR LYS PHE TYR PHE GLN GLU ASP GLU                          
SEQRES   1 2  152  ARG PRO SER GLY ARG LYS SER SER LYS MET GLN ALA PHE          
SEQRES   2 2  152  ARG ILE TRP ASP VAL ASN GLN LYS THR PHE TYR LEU ARG          
SEQRES   3 2  152  ASN ASN GLN LEU VAL ALA GLY TYR LEU GLN GLY PRO ASN          
SEQRES   4 2  152  VAL ASN LEU GLU GLU LYS ILE ASP VAL VAL PRO ILE GLU          
SEQRES   5 2  152  PRO HIS ALA LEU PHE LEU GLY ILE HIS GLY GLY LYS MET          
SEQRES   6 2  152  CYS LEU SER CYS VAL LYS SER GLY ASP GLU THR ARG LEU          
SEQRES   7 2  152  GLN LEU GLU ALA VAL ASN ILE THR ASP LEU SER GLU ASN          
SEQRES   8 2  152  ARG LYS GLN ASP LYS ARG PHE ALA PHE ILE ARG SER ASP          
SEQRES   9 2  152  SER GLY PRO THR THR SER PHE GLU SER ALA ALA CYS PRO          
SEQRES  10 2  152  GLY TRP PHE LEU CYS THR ALA MET GLU ALA ASP GLN PRO          
SEQRES  11 2  152  VAL SER LEU THR ASN MET PRO ASP GLU GLY VAL MET VAL          
SEQRES  12 2  152  THR LYS PHE TYR PHE GLN GLU ASP GLU                          
FORMUL   3  HOH   *139(H2 O)                                                    
HELIX    1  H1 GLY 1   37  LEU 1   42  5                                   6    
HELIX    2 H2A ILE 1   85  ASP 1   87  5ONLY IN MOLECULE 1                 3    
HELIX    3  H2 LYS 1   93  PHE 1   98  5                                   6    
HELIX    4 BH1 GLY 2   37  LEU 2   42  5                                   6    
HELIX    5 BH2 LYS 2   93  PHE 2   98  5                                   6    
SHEET    1  B1 7 GLN 1  11  ASP 1  17  0                                        
SHEET    2  B1 7 ILE 1  46  ILE 1  51 -1                                        
SHEET    3  B1 7 ALA 1  55  ILE 1  60 -1                                        
SHEET    4  B1 7 ALA 1  99  SER 1 105 -1                                        
SHEET    5  B1 7 THR 1 108  SER 1 113 -1                                        
SHEET    6  B1 7 PHE 1 146  GLU 1 150 -1                                        
SHEET    7  B1 7 GLN 1  11  ASP 1  17 -1                                        
SHEET    1  B2 7 GLN 2  11  ASP 2  17  0                                        
SHEET    2  B2 7 ILE 2  46  ILE 2  51 -1                                        
SHEET    3  B2 7 ALA 2  55  ILE 2  60 -1                                        
SHEET    4  B2 7 ALA 2  99  SER 2 105 -1                                        
SHEET    5  B2 7 THR 2 108  SER 2 113 -1                                        
SHEET    6  B2 7 PHE 2 146  GLU 2 150 -1                                        
SHEET    7  B2 7 GLN 2  11  ASP 2  17 -1                                        
SSBOND   1 CYS 1   69    CYS 1  116                          1555   1555  2.03  
SSBOND   2 CYS 2   69    CYS 2  116                          1555   1555  2.03  
CISPEP   1 GLU 1   52    PRO 1   53          0        -0.32                     
CISPEP   2 GLU 2   52    PRO 2   53          0         1.86                     
CRYST1   71.300   71.300  117.300  90.00  90.00  90.00 P 43 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      0.014025  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.014025  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008525        0.00000                         
MTRIX1   1  0.342973  0.714236 -0.610110       13.45390    1                    
MTRIX2   1 -0.829805  0.534758  0.159550       50.85968    1                    
MTRIX3   1  0.440219  0.451551  0.776085       -7.88375    1                    
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system