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Database: PDB
Entry: 1DR9
LinkDB: 1DR9
Original site: 1DR9 
HEADER    IMMUNE SYSTEM                           06-JAN-00   1DR9              
TITLE     CRYSTAL STRUCTURE OF A SOLUBLE FORM OF B7-1 (CD80)                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: T LYMPHOCYTE ACTIVATION ANTIGEN;                           
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: EXTRACELLULAR REGION;                                      
COMPND   5 SYNONYM: B7-1 (CD80);                                                
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: CHO;                                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    IG SUPERFAMILY, IMMUNE SYSTEM                                         
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.IKEMIZU,E.Y.JONES,D.I.STUART,S.J.DAVIS                              
REVDAT   6   29-JUL-20 1DR9    1       COMPND REMARK HETNAM LINK                
REVDAT   6 2                   1       SITE                                     
REVDAT   5   31-JAN-18 1DR9    1       REMARK                                   
REVDAT   4   13-JUL-11 1DR9    1       VERSN                                    
REVDAT   3   24-FEB-09 1DR9    1       VERSN                                    
REVDAT   2   01-APR-03 1DR9    1       JRNL                                     
REVDAT   1   10-JAN-00 1DR9    0                                                
JRNL        AUTH   S.IKEMIZU,R.J.GILBERT,J.A.FENNELLY,A.V.COLLINS,K.HARLOS,     
JRNL        AUTH 2 E.Y.JONES,D.I.STUART,S.J.DAVIS                               
JRNL        TITL   STRUCTURE AND DIMERIZATION OF A SOLUBLE FORM OF B7-1.        
JRNL        REF    IMMUNITY                      V.  12    51 2000              
JRNL        REFN                   ISSN 1074-7613                               
JRNL        PMID   10661405                                                     
JRNL        DOI    10.1016/S1074-7613(00)80158-2                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 0.9                                              
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 : NULL                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 3.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.55                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 253290.040                     
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 96.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 5204                           
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) : 0.238                           
REMARK   3   FREE R VALUE                     : 0.280                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.600                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 289                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.016                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 6                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 3.00                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 3.19                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 92.10                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 745                          
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2910                       
REMARK   3   BIN FREE R VALUE                    : 0.3650                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 7.00                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 56                           
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.049                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1603                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 42                                      
REMARK   3   SOLVENT ATOMS            : 0                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 41.10                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 11.91000                                             
REMARK   3    B22 (A**2) : 11.91000                                             
REMARK   3    B33 (A**2) : -23.83000                                            
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) : 0.34                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.36                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.42                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.45                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.008                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.400                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 26.70                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.730                           
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 1.640 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 2.760 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 2.270 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 3.480 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.29                                                 
REMARK   3   BSOL        : 10.00                                                
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.PAR                                
REMARK   3  PARAMETER FILE  2  : CARBOHYDRATE.PAR                               
REMARK   3  PARAMETER FILE  3  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : CARBOHYDRATE.TOP                               
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1DR9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB.                               
REMARK 100 THE DEPOSITION ID IS D_1000010314.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 24-NOV-98                          
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : BM14                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : NULL                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 5204                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.000                              
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     (%) : 96.5                               
REMARK 200  DATA REDUNDANCY                : 0.195                              
REMARK 200  R MERGE                    (I) : 0.11400                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 24.0000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.00                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.10                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 88.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.48000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
REMARK 200 SOFTWARE USED: SOLVE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 53.85                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.67                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG400, NA HEPES, CACL2, PH 7.5, VAPOR   
REMARK 280  DIFFUSION, SITTING DROP, TEMPERATURE 20K, TEMPERATURE 293.0K        
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 41 2 2                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       3555   -Y,X+1/2,Z+1/4                                          
REMARK 290       4555   Y+1/2,-X,Z+3/4                                          
REMARK 290       5555   -X+1/2,Y,-Z+3/4                                         
REMARK 290       6555   X,-Y+1/2,-Z+1/4                                         
REMARK 290       7555   Y+1/2,X+1/2,-Z+1/2                                      
REMARK 290       8555   -Y,-X,-Z                                                
REMARK 290       9555   X+1/2,Y+1/2,Z+1/2                                       
REMARK 290      10555   -X,-Y,Z                                                 
REMARK 290      11555   -Y+1/2,X,Z+3/4                                          
REMARK 290      12555   Y,-X+1/2,Z+1/4                                          
REMARK 290      13555   -X,Y+1/2,-Z+1/4                                         
REMARK 290      14555   X+1/2,-Y,-Z+3/4                                         
REMARK 290      15555   Y,X,-Z                                                  
REMARK 290      16555   -Y+1/2,-X+1/2,-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       28.64000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000       28.64000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000      149.46500            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       28.64000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       74.73250            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       28.64000            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000      224.19750            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       28.64000            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000      224.19750            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       28.64000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       74.73250            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000       28.64000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000       28.64000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000      149.46500            
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        0.00000            
REMARK 290   SMTRY1   9  1.000000  0.000000  0.000000       28.64000            
REMARK 290   SMTRY2   9  0.000000  1.000000  0.000000       28.64000            
REMARK 290   SMTRY3   9  0.000000  0.000000  1.000000      149.46500            
REMARK 290   SMTRY1  10 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  10  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  10  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  11  0.000000 -1.000000  0.000000       28.64000            
REMARK 290   SMTRY2  11  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  11  0.000000  0.000000  1.000000      224.19750            
REMARK 290   SMTRY1  12  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  12 -1.000000  0.000000  0.000000       28.64000            
REMARK 290   SMTRY3  12  0.000000  0.000000  1.000000       74.73250            
REMARK 290   SMTRY1  13 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  13  0.000000  1.000000  0.000000       28.64000            
REMARK 290   SMTRY3  13  0.000000  0.000000 -1.000000       74.73250            
REMARK 290   SMTRY1  14  1.000000  0.000000  0.000000       28.64000            
REMARK 290   SMTRY2  14  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  14  0.000000  0.000000 -1.000000      224.19750            
REMARK 290   SMTRY1  15  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  15  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  15  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  16  0.000000 -1.000000  0.000000       28.64000            
REMARK 290   SMTRY2  16 -1.000000  0.000000  0.000000       28.64000            
REMARK 290   SMTRY3  16  0.000000  0.000000 -1.000000      149.46500            
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     LYS A   201                                                      
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    LYS A   9      -13.44     79.27                                   
REMARK 500    LYS A  36      -28.90     69.97                                   
REMARK 500    VAL A  39      -63.75   -123.78                                   
REMARK 500    MET A  42       55.94   -110.04                                   
REMARK 500    MET A  43       98.23    -57.56                                   
REMARK 500    SER A  44       72.40     34.14                                   
REMARK 500    ASN A  48      105.43   -162.05                                   
REMARK 500    ASN A  63       68.29   -100.26                                   
REMARK 500    LYS A  89      112.98    -21.45                                   
REMARK 500    ASP A  90      -24.64    108.58                                   
REMARK 500    ALA A 106       53.23   -140.72                                   
REMARK 500    THR A 120      117.46   -165.89                                   
REMARK 500    ASN A 122      -20.65     80.89                                   
REMARK 500    PRO A 135     -164.10    -74.17                                   
REMARK 500    GLU A 160      -74.93    -75.22                                   
REMARK 500    LEU A 189     -167.83   -101.65                                   
REMARK 500    ARG A 190      137.09    179.66                                   
REMARK 500    THR A 199     -103.53    -50.88                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1DR9 A    1   201  UNP    P33681   CD80_HUMAN      35    234             
SEQADV 1DR9 ALA A  200  UNP  P33681    THR   234 ENGINEERED                     
SEQRES   1 A  201  VAL ILE HIS VAL THR LYS GLU VAL LYS GLU VAL ALA THR          
SEQRES   2 A  201  LEU SER CYS GLY HIS ASN VAL SER VAL GLU GLU LEU ALA          
SEQRES   3 A  201  GLN THR ARG ILE TYR TRP GLN LYS GLU LYS LYS MET VAL          
SEQRES   4 A  201  LEU THR MET MET SER GLY ASP MET ASN ILE TRP PRO GLU          
SEQRES   5 A  201  TYR LYS ASN ARG THR ILE PHE ASP ILE THR ASN ASN LEU          
SEQRES   6 A  201  SER ILE VAL ILE LEU ALA LEU ARG PRO SER ASP GLU GLY          
SEQRES   7 A  201  THR TYR GLU CYS VAL VAL LEU LYS TYR GLU LYS ASP ALA          
SEQRES   8 A  201  PHE LYS ARG GLU HIS LEU ALA GLU VAL THR LEU SER VAL          
SEQRES   9 A  201  LYS ALA ASP PHE PRO THR PRO SER ILE SER ASP PHE GLU          
SEQRES  10 A  201  ILE PRO THR SER ASN ILE ARG ARG ILE ILE CYS SER THR          
SEQRES  11 A  201  SER GLY GLY PHE PRO GLU PRO HIS LEU SER TRP LEU GLU          
SEQRES  12 A  201  ASN GLY GLU GLU LEU ASN ALA ILE ASN THR THR VAL SER          
SEQRES  13 A  201  GLN ASP PRO GLU THR GLU LEU TYR ALA VAL SER SER LYS          
SEQRES  14 A  201  LEU ASP PHE ASN MET THR THR ASN HIS SER PHE MET CYS          
SEQRES  15 A  201  LEU ILE LYS TYR GLY HIS LEU ARG VAL ASN GLN THR PHE          
SEQRES  16 A  201  ASN TRP ASN THR ALA LYS                                      
MODRES 1DR9 ASN A  152  ASN  GLYCOSYLATION SITE                                 
MODRES 1DR9 ASN A  192  ASN  GLYCOSYLATION SITE                                 
MODRES 1DR9 ASN A  173  ASN  GLYCOSYLATION SITE                                 
HET    NAG  A1001      14                                                       
HET    NAG  A1002      14                                                       
HET    NAG  A1003      14                                                       
HETNAM     NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE                         
FORMUL   2  NAG    3(C8 H15 N O6)                                               
HELIX    1   1 GLU A   23  THR A   28  1                                   6    
HELIX    2   2 TRP A   50  ASN A   55  1                                   6    
HELIX    3   3 ARG A   73  GLU A   77  5                                   5    
SHEET    1   A 6 HIS A   3  GLU A   7  0                                        
SHEET    2   A 6 LYS A  93  LYS A 105  1  O  THR A 101   N  VAL A   4           
SHEET    3   A 6 GLY A  78  LYS A  86 -1  O  GLY A  78   N  LEU A 102           
SHEET    4   A 6 ARG A  29  LYS A  34 -1  O  ARG A  29   N  LEU A  85           
SHEET    5   A 6 LYS A  37  MET A  43 -1  O  LYS A  37   N  LYS A  34           
SHEET    6   A 6 ASP A  46  ILE A  49 -1  N  ASP A  46   O  MET A  43           
SHEET    1   B 3 ALA A  12  LEU A  14  0                                        
SHEET    2   B 3 SER A  66  ILE A  69 -1  O  ILE A  67   N  LEU A  14           
SHEET    3   B 3 THR A  57  ASP A  60 -1  O  ILE A  58   N  VAL A  68           
SHEET    1   C 4 SER A 112  GLU A 117  0                                        
SHEET    2   C 4 ILE A 123  GLY A 133 -1  N  ARG A 125   O  PHE A 116           
SHEET    3   C 4 TYR A 164  ASN A 173 -1  O  TYR A 164   N  GLY A 132           
SHEET    4   C 4 ASN A 152  GLN A 157 -1  O  ASN A 152   N  LYS A 169           
SHEET    1   D 4 GLU A 147  LEU A 148  0                                        
SHEET    2   D 4 PRO A 137  GLU A 143 -1  O  TRP A 141   N  LEU A 148           
SHEET    3   D 4 HIS A 178  TYR A 186 -1  O  MET A 181   N  LEU A 142           
SHEET    4   D 4 VAL A 191  TRP A 197 -1  O  VAL A 191   N  ILE A 184           
SSBOND   1 CYS A   16    CYS A   82                          1555   1555  2.03  
SSBOND   2 CYS A  128    CYS A  182                          1555   1555  2.04  
LINK         ND2 ASN A 152                 C1  NAG A1001     1555   1555  1.45  
LINK         ND2 ASN A 173                 C1  NAG A1003     1555   1555  1.46  
LINK         ND2 ASN A 192                 C1  NAG A1002     1555   1555  1.45  
CISPEP   1 PHE A  134    PRO A  135          0         0.34                     
CRYST1   57.280   57.280  298.930  90.00  90.00  90.00 I 41 2 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      0.017458  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.017458  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.003345        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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