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Database: PDB
Entry: 4I1B
LinkDB: 4I1B
Original site: 4I1B 
HEADER    CYTOKINE                                27-MAR-90   4I1B              
TITLE     FUNCTIONAL IMPLICATIONS OF INTERLEUKIN-1BETA BASED ON THE             
TITLE    2 THREE-DIMENSIONAL STRUCTURE                                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INTERLEUKIN-1 BETA;                                        
COMPND   3 CHAIN: A;                                                            
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    CYTOKINE                                                              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    B.VEERAPANDIAN,T.L.POULOS,G.L.GILLILAND,R.RAAG,L.A.SVENSSON,          
AUTHOR   2 Y.MASUI,Y.HIRAI                                                      
REVDAT   4   24-FEB-09 4I1B    1       VERSN                                    
REVDAT   3   15-JAN-93 4I1B    1       SOURCE JRNL   REMARK                     
REVDAT   2   15-JUL-92 4I1B    1       AUTHOR                                   
REVDAT   1   15-APR-90 4I1B    0                                                
JRNL        AUTH   B.VEERAPANDIAN,G.L.GILLILAND,R.RAAG,A.L.SVENSSON,            
JRNL        AUTH 2 Y.MASUI,Y.HIRAI,T.L.POULOS                                   
JRNL        TITL   FUNCTIONAL IMPLICATIONS OF INTERLEUKIN-1 BETA                
JRNL        TITL 2 BASED ON THE THREE-DIMENSIONAL STRUCTURE.                    
JRNL        REF    PROTEINS                      V.  12    10 1992              
JRNL        REFN                   ISSN 0887-3585                               
JRNL        PMID   1553379                                                      
JRNL        DOI    10.1002/PROT.340120103                                       
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   G.L.GILLILAND,E.L.WINBORNE,Y.MASUI,Y.HIRAI                   
REMARK   1  TITL   A PRELIMINARY CRYSTALLOGRAPHIC STUDY OF                      
REMARK   1  TITL 2 RECOMBINANT HUMAN INTERLEUKIN 1BETA                          
REMARK   1  REF    J.BIOL.CHEM.                  V. 262 12323 1987              
REMARK   1  REFN                   ISSN 0021-9258                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : RESTRAIN                                             
REMARK   3   AUTHORS     : MOSS,DRIESSEN,HANEEF,HOWLIN,HARRIS                   
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : NULL                           
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : NULL                           
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 + TEST SET) : 0.190                           
REMARK   3   R VALUE            (WORKING SET) : NULL                            
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                                                                      
REMARK   3  FIT/AGREEMENT OF MODEL WITH ALL DATA.                               
REMARK   3   R VALUE   (WORKING + TEST SET, NO CUTOFF) : NULL                   
REMARK   3   R VALUE          (WORKING SET, NO CUTOFF) : NULL                   
REMARK   3   FREE R VALUE                  (NO CUTOFF) : NULL                   
REMARK   3   FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL                   
REMARK   3   FREE R VALUE TEST SET COUNT   (NO CUTOFF) : NULL                   
REMARK   3   TOTAL NUMBER OF REFLECTIONS   (NO CUTOFF) : NULL                   
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1207                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 91                                      
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  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   DISTANCE RESTRAINTS.                    RMS    SIGMA               
REMARK   3    BOND LENGTH                     (A) : 0.020 ; NULL                
REMARK   3    ANGLE DISTANCE                  (A) : 0.039 ; NULL                
REMARK   3    INTRAPLANAR 1-4 DISTANCE        (A) : NULL  ; NULL                
REMARK   3    H-BOND OR METAL COORDINATION    (A) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   PLANE RESTRAINT                  (A) : NULL  ; NULL                
REMARK   3   CHIRAL-CENTER RESTRAINT       (A**3) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   NON-BONDED CONTACT RESTRAINTS.                                     
REMARK   3    SINGLE TORSION                  (A) : NULL  ; NULL                
REMARK   3    MULTIPLE TORSION                (A) : NULL  ; NULL                
REMARK   3    H-BOND (X...Y)                  (A) : NULL  ; NULL                
REMARK   3    H-BOND (X-H...Y)                (A) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   CONFORMATIONAL TORSION ANGLE RESTRAINTS.                           
REMARK   3    SPECIFIED                 (DEGREES) : NULL  ; NULL                
REMARK   3    PLANAR                    (DEGREES) : NULL  ; NULL                
REMARK   3    STAGGERED                 (DEGREES) : NULL  ; NULL                
REMARK   3    TRANSVERSE                (DEGREES) : NULL  ; 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  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4I1B COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
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: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 63.26                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.35                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43                             
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,X,Z+3/4                                              
REMARK 290       4555   Y,-X,Z+1/4                                              
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       38.33000            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       57.49500            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       19.16500            
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 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     ALA A     1                                                      
REMARK 465     PRO A     2                                                      
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    MET A  20   CG  -  SD  -  CE  ANGL. DEV. =  11.4 DEGREES          
REMARK 500    MET A  44   CG  -  SD  -  CE  ANGL. DEV. =  11.0 DEGREES          
REMARK 500    ASP A  54   CB  -  CG  -  OD1 ANGL. DEV. =   8.2 DEGREES          
REMARK 500    LEU A  60   CB  -  CG  -  CD1 ANGL. DEV. =  11.4 DEGREES          
REMARK 500    VAL A  85   CA  -  CB  -  CG2 ANGL. DEV. =  12.6 DEGREES          
REMARK 500    MET A  95   CG  -  SD  -  CE  ANGL. DEV. =  13.9 DEGREES          
REMARK 500    VAL A 100   CA  -  CB  -  CG2 ANGL. DEV. =   9.4 DEGREES          
REMARK 500    GLN A 141   N   -  CA  -  CB  ANGL. DEV. =  12.2 DEGREES          
REMARK 500    MET A 148   CG  -  SD  -  CE  ANGL. DEV. =  10.2 DEGREES          
REMARK 500    SER A 153   C   -  N   -  CA  ANGL. DEV. =  21.5 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    CYS A   8      146.01   -175.35                                   
REMARK 500    SER A  21      -78.57    -80.31                                   
REMARK 500    TYR A  24       10.64   -147.38                                   
REMARK 500    GLN A  38        5.02    -65.61                                   
REMARK 500    ASP A  75       41.66     90.29                                   
REMARK 500    ASN A 107       67.44     78.45                                   
REMARK 500    GLN A 141      -76.66   -150.86                                   
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 202        DISTANCE =  5.93 ANGSTROMS                       
REMARK 525    HOH A 232        DISTANCE =  7.00 ANGSTROMS                       
REMARK 525    HOH A 237        DISTANCE =  6.27 ANGSTROMS                       
REMARK 525    HOH A 238        DISTANCE =  5.32 ANGSTROMS                       
REMARK 525    HOH A 260        DISTANCE =  5.17 ANGSTROMS                       
REMARK 525    HOH A 261        DISTANCE =  5.49 ANGSTROMS                       
REMARK 525    HOH A 266        DISTANCE =  5.88 ANGSTROMS                       
REMARK 525    HOH A 267        DISTANCE =  7.75 ANGSTROMS                       
REMARK 525    HOH A 270        DISTANCE =  5.81 ANGSTROMS                       
REMARK 525    HOH A 271        DISTANCE =  5.28 ANGSTROMS                       
REMARK 525    HOH A 272        DISTANCE =  7.13 ANGSTROMS                       
REMARK 525    HOH A 273        DISTANCE =  5.03 ANGSTROMS                       
REMARK 525    HOH A 275        DISTANCE =  5.84 ANGSTROMS                       
REMARK 525    HOH A 276        DISTANCE =  8.72 ANGSTROMS                       
REMARK 525    HOH A 277        DISTANCE =  8.29 ANGSTROMS                       
REMARK 525    HOH A 279        DISTANCE = 13.97 ANGSTROMS                       
REMARK 525    HOH A 281        DISTANCE =  9.06 ANGSTROMS                       
REMARK 525    HOH A 284        DISTANCE =  5.86 ANGSTROMS                       
REMARK 525    HOH A 291        DISTANCE =  6.32 ANGSTROMS                       
DBREF  4I1B A    1   153  UNP    P01584   IL1B_HUMAN     117    269             
SEQRES   1 A  153  ALA PRO VAL ARG SER LEU ASN CYS THR LEU ARG ASP SER          
SEQRES   2 A  153  GLN GLN LYS SER LEU VAL MET SER GLY PRO TYR GLU LEU          
SEQRES   3 A  153  LYS ALA LEU HIS LEU GLN GLY GLN ASP MET GLU GLN GLN          
SEQRES   4 A  153  VAL VAL PHE SER MET SER PHE VAL GLN GLY GLU GLU SER          
SEQRES   5 A  153  ASN ASP LYS ILE PRO VAL ALA LEU GLY LEU LYS GLU LYS          
SEQRES   6 A  153  ASN LEU TYR LEU SER CYS VAL LEU LYS ASP ASP LYS PRO          
SEQRES   7 A  153  THR LEU GLN LEU GLU SER VAL ASP PRO LYS ASN TYR PRO          
SEQRES   8 A  153  LYS LYS LYS MET GLU LYS ARG PHE VAL PHE ASN LYS ILE          
SEQRES   9 A  153  GLU ILE ASN ASN LYS LEU GLU PHE GLU SER ALA GLN PHE          
SEQRES  10 A  153  PRO ASN TRP TYR ILE SER THR SER GLN ALA GLU ASN MET          
SEQRES  11 A  153  PRO VAL PHE LEU GLY GLY THR LYS GLY GLY GLN ASP ILE          
SEQRES  12 A  153  THR ASP PHE THR MET GLN PHE VAL SER SER                      
FORMUL   2  HOH   *91(H2 O)                                                     
HELIX    1   1 GLN A   32  GLN A   39  5                                   8    
HELIX    2   2 GLU A   96  PHE A   99  5                                   4    
SHEET    1 BAR 7 ARG A   4  ASP A  12  0                                        
SHEET    2 BAR 7 VAL A  40  GLN A  48 -1  O  MET A  44   N  LEU A   6           
SHEET    3 BAR 7 LYS A  55  LEU A  62 -1  O  ALA A  59   N  SER A  45           
SHEET    4 BAR 7 VAL A 100  ILE A 106 -1  O  LYS A 103   N  ILE A  56           
SHEET    5 BAR 7 LYS A 109  ALA A 115 -1  O  LYS A 109   N  ILE A 106           
SHEET    6 BAR 7 ILE A 143  VAL A 151 -1  O  PHE A 146   N  LEU A 110           
SHEET    7 BAR 7 ARG A   4  ASP A  12 -1  N  THR A   9   O  GLN A 149           
SHEET    1  S2 2 SER A  17  SER A  21  0                                        
SHEET    2  S2 2 GLU A  25  LEU A  29 -1  O  LEU A  29   N  SER A  17           
SHEET    1  S3 2 ASN A  66  LYS A  74  0                                        
SHEET    2  S3 2 LYS A  77  VAL A  85 -1  O  LYS A  77   N  LYS A  74           
SHEET    1  S4 2 TRP A 120  SER A 125  0                                        
SHEET    2  S4 2 MET A 130  GLY A 135 -1  O  GLY A 135   N  TYR A 121           
CISPEP   1 TYR A   90    PRO A   91          0         8.37                     
CRYST1   55.140   55.140   76.660  90.00  90.00  90.00 P 43          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      0.018136  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.018136  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013045        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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