GenomeNet

Database: PDB
Entry: 1I8L
LinkDB: 1I8L
Original site: 1I8L 
HEADER    IMMUNE SYSTEM                           14-MAR-01   1I8L              
TITLE     HUMAN B7-1/CTLA-4 CO-STIMULATORY COMPLEX                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: T LYMPHOCYTE ACTIVATION ANTIGEN CD80;                      
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: EXTRACELLULAR DOMAIN, RESIDUES 35-242;                     
COMPND   5 SYNONYM: ACTIVATION B7-1 ANTIGEN, CTLA-4 COUNTER-RECEPTOR B7.1;      
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: CYTOTOXIC T-LYMPHOCYTE PROTEIN 4;                          
COMPND   9 CHAIN: C, D;                                                         
COMPND  10 FRAGMENT: EXTRACELLULAR DOMAIN, RESIDUES 36-161;                     
COMPND  11 SYNONYM: CTLA-4, CYTOTOXIC T-LYMPHOCYTE-ASSOCIATED ANTIGEN 4;        
COMPND  12 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: CRICETULUS GRISEUS;                               
SOURCE   6 EXPRESSION_SYSTEM_COMMON: CHINESE HAMSTER;                           
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 10029;                                      
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 EXPRESSION_SYSTEM: CRICETULUS GRISEUS;                               
SOURCE  13 EXPRESSION_SYSTEM_COMMON: CHINESE HAMSTER;                           
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 10029                                       
KEYWDS    RECEPTORS, INHIBITORY COMPLEX, IMMUNE SYSTEM                          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    C.C.STAMPER,W.S.SOMERS,L.MOSYAK                                       
REVDAT   5   29-JUL-20 1I8L    1       COMPND REMARK HETNAM SITE                
REVDAT   4   13-JUL-11 1I8L    1       VERSN                                    
REVDAT   3   24-FEB-09 1I8L    1       VERSN                                    
REVDAT   2   03-FEB-04 1I8L    1       REMARK                                   
REVDAT   1   04-APR-01 1I8L    0                                                
JRNL        AUTH   C.C.STAMPER,Y.ZHANG,J.F.TOBIN,D.V.ERBE,S.IKEMIZU,S.J.DAVIS,  
JRNL        AUTH 2 M.L.STAHL,J.SEEHRA,W.S.SOMERS,L.MOSYAK                       
JRNL        TITL   CRYSTAL STRUCTURE OF THE B7-1/CTLA-4 COMPLEX THAT INHIBITS   
JRNL        TITL 2 HUMAN IMMUNE RESPONSES.                                      
JRNL        REF    NATURE                        V. 410   608 2001              
JRNL        REFN                   ISSN 0028-0836                               
JRNL        PMID   11279502                                                     
JRNL        DOI    10.1038/35069118                                             
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS                                                  
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 LIKELIHOOD USING AMPLITUDES             
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 3.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.77                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 2.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 162155.860                     
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 82.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 31405                          
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) : 0.229                           
REMARK   3   FREE R VALUE                     : 0.257                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 6.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1887                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.006                           
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) (%) : 55.70                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 3271                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3080                       
REMARK   3   BIN FREE R VALUE                    : 0.3390                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 5.90                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 204                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.024                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 4834                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 274                                     
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) : 75.30                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 36.05000                                             
REMARK   3    B22 (A**2) : -12.34000                                            
REMARK   3    B33 (A**2) : -23.71000                                            
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) : 0.38                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.57                            
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) : 0.44                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.58                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.010                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.600                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 26.40                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.850                           
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) : 2.200 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 3.870 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 2.880 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 4.570 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.25                                                 
REMARK   3   BSOL        : 20.32                                                
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  : NAG_MAN.PARAM                                  
REMARK   3  PARAMETER FILE  3  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : NAG_MAN.TOP                                    
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1I8L COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-MAR-01.                  
REMARK 100 THE DEPOSITION ID IS D_1000013040.                                   
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                                
REMARK 200  PH                             : 6.3                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ALS                                
REMARK 200  BEAMLINE                       : 5.0.2                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0                                
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 4                     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 38815                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.000                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.2                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.06700                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 19.1000                            
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) : 3.11                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 94.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.35100                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: CNS                                                   
REMARK 200 STARTING MODEL: HUMAN B7-1 DIMER                                     
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 58.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 6.26                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 16% PEG 8000, 0.1M CACODYLATE, PH 6.3,   
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K                   
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21                         
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   -X,Y,-Z+1/2                                             
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z                                           
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000      115.36300            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000      115.36300            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       44.30000            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       91.61900            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       44.30000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       91.61900            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000      115.36300            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       44.30000            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       91.61900            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000      115.36300            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       44.30000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       91.61900            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
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: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C                                  
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: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, D                                  
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     THR A   200                                                      
REMARK 465     LYS A   201                                                      
REMARK 465     GLN A   202                                                      
REMARK 465     GLU A   203                                                      
REMARK 465     HIS A   204                                                      
REMARK 465     PHE A   205                                                      
REMARK 465     PRO A   206                                                      
REMARK 465     ASP A   207                                                      
REMARK 465     ASN A   208                                                      
REMARK 465     THR B   200                                                      
REMARK 465     LYS B   201                                                      
REMARK 465     GLN B   202                                                      
REMARK 465     GLU B   203                                                      
REMARK 465     HIS B   204                                                      
REMARK 465     PHE B   205                                                      
REMARK 465     PRO B   206                                                      
REMARK 465     ASP B   207                                                      
REMARK 465     ASN B   208                                                      
REMARK 465     LYS C     1                                                      
REMARK 465     ALA C     2                                                      
REMARK 465     PRO C   121                                                      
REMARK 465     CYS C   122                                                      
REMARK 465     PRO C   123                                                      
REMARK 465     ASP C   124                                                      
REMARK 465     SER C   125                                                      
REMARK 465     ASP C   126                                                      
REMARK 465     LYS D     1                                                      
REMARK 465     ALA D     2                                                      
REMARK 465     PRO D   121                                                      
REMARK 465     CYS D   122                                                      
REMARK 465     PRO D   123                                                      
REMARK 465     ASP D   124                                                      
REMARK 465     SER D   125                                                      
REMARK 465     ASP D   126                                                      
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     LYS A  37    CG   CD   CE   NZ                                   
REMARK 470     LYS A  54    CG   CD   CE   NZ                                   
REMARK 470     GLU A 117    CG   CD   OE1  OE2                                  
REMARK 470     THR A 120    OG1  CG2                                            
REMARK 470     SER A 121    OG                                                  
REMARK 470     ASN A 122    CG   OD1  ND2                                       
REMARK 470     ILE A 123    CG1  CG2  CD1                                       
REMARK 470     ASN A 177    CG   OD1  ND2                                       
REMARK 470     LYS B   9    CG   CD   CE   NZ                                   
REMARK 470     LYS B  37    CG   CD   CE   NZ                                   
REMARK 470     LYS B  86    CG   CD   CE   NZ                                   
REMARK 470     LYS B  89    CG   CD   CE   NZ                                   
REMARK 470     GLU B 117    CG   CD   OE1  OE2                                  
REMARK 470     ASN B 122    CG   OD1  ND2                                       
REMARK 470     ILE B 123    CG1  CG2  CD1                                       
REMARK 470     GLU B 160    CG   CD   OE1  OE2                                  
REMARK 470     THR B 176    OG1  CG2                                            
REMARK 470     THR B 199    OG1  CG2                                            
REMARK 470     LEU C  12    CG   CD1  CD2                                       
REMARK 470     ARG C  16    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS C  30    CG   CD   CE   NZ                                   
REMARK 470     ASP C  43    CG   OD1  OD2                                       
REMARK 470     GLU C  59    CG   CD   OE1  OE2                                  
REMARK 470     LEU D  12    CG   CD1  CD2                                       
REMARK 470     ARG D  16    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS D  30    CG   CD   CE   NZ                                   
REMARK 470     GLN D  45    CG   CD   OE1  NE2                                  
REMARK 470     TYR D  54    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     GLU D  59    CG   CD   OE1  OE2                                  
REMARK 470     ASP D  64    CG   OD1  OD2                                       
REMARK 470     ASP D  65    CG   OD1  OD2                                       
REMARK 470     GLN D  76    CG   CD   OE1  NE2                                  
REMARK 470     ARG D  85    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU D 120    CG   CD   OE1  OE2                                  
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    PRO B  51   C   -  N   -  CA  ANGL. DEV. =   9.1 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    VAL A   8      -33.50    -28.20                                   
REMARK 500    GLN A  27       34.59    -99.68                                   
REMARK 500    GLU A  35     -120.21     61.79                                   
REMARK 500    ASN A  48      110.84   -168.31                                   
REMARK 500    GLU A  52      -15.01    -49.66                                   
REMARK 500    LYS A  54      -26.26    -21.15                                   
REMARK 500    ASP A  60       75.87    -69.81                                   
REMARK 500    ASN A  63       73.78   -102.63                                   
REMARK 500    LEU A  65       23.94     47.21                                   
REMARK 500    LYS A  89      -96.05     48.73                                   
REMARK 500    ALA A 106       51.66   -152.96                                   
REMARK 500    SER A 121      -99.13    -33.12                                   
REMARK 500    THR A 130      142.51   -176.88                                   
REMARK 500    PRO A 135     -158.77    -75.06                                   
REMARK 500    GLU A 143      -61.97   -100.50                                   
REMARK 500    ILE A 151      -73.80    -76.74                                   
REMARK 500    GLU A 162       -6.87     79.70                                   
REMARK 500    ASN A 192     -157.37   -129.65                                   
REMARK 500    GLN A 193      138.50   -173.87                                   
REMARK 500    ASN A 198      -85.07   -124.49                                   
REMARK 500    LYS B   9      -31.83     70.25                                   
REMARK 500    HIS B  18      140.62   -179.04                                   
REMARK 500    GLU B  35     -124.04     60.70                                   
REMARK 500    ASN B  48      111.79   -176.35                                   
REMARK 500    LYS B  54      -56.25     -9.54                                   
REMARK 500    ALA B  71       74.30     73.09                                   
REMARK 500    LYS B  89      -95.13     36.69                                   
REMARK 500    ALA B  91     -178.98   -178.56                                   
REMARK 500    ALA B 106       46.50   -149.90                                   
REMARK 500    PHE B 116      136.65   -178.62                                   
REMARK 500    THR B 130      136.47    171.86                                   
REMARK 500    PRO B 135     -161.67    -78.09                                   
REMARK 500    GLU B 143      -60.31    -99.13                                   
REMARK 500    GLU B 162       -1.44     76.14                                   
REMARK 500    THR B 175      -52.79   -133.76                                   
REMARK 500    ASN B 192     -157.23   -141.45                                   
REMARK 500    GLN B 193      144.22   -172.03                                   
REMARK 500    ALA C  13     -161.33    -66.74                                   
REMARK 500    ARG C  16      -92.29    -62.85                                   
REMARK 500    PHE C  21      154.48    178.78                                   
REMARK 500    SER C  27       97.73    -57.12                                   
REMARK 500    LYS C  30       92.43    -68.31                                   
REMARK 500    ALA C  31      -92.72    -43.77                                   
REMARK 500    THR C  32      -58.64     83.76                                   
REMARK 500    ALA C  42      126.65   -173.31                                   
REMARK 500    CYS C  50      166.61    175.36                                   
REMARK 500    MET C  56      103.65    -44.21                                   
REMARK 500    ASN C  75       40.46    -81.98                                   
REMARK 500    ASN C  78       72.93   -102.34                                   
REMARK 500    PRO C 119      149.96    -39.56                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      68 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 610                                                                      
REMARK 610 MISSING HETEROATOM                                                   
REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 610 I=INSERTION CODE):                                                   
REMARK 610   M RES C SSEQI                                                      
REMARK 610     NAG A  209                                                       
REMARK 610     NAG A  210                                                       
REMARK 610     NAG A  211                                                       
REMARK 610     NAG A  212                                                       
REMARK 610     MAN A  213                                                       
REMARK 610     NAG A  214                                                       
REMARK 610     NAG A  215                                                       
REMARK 610     NAG A  216                                                       
REMARK 610     NAG B  209                                                       
REMARK 610     NAG B  210                                                       
REMARK 610     NAG B  211                                                       
REMARK 610     NAG B  212                                                       
REMARK 610     MAN B  213                                                       
REMARK 610     NAG B  214                                                       
REMARK 610     NAG B  215                                                       
REMARK 610     NAG B  216                                                       
REMARK 610     NAG C  127                                                       
REMARK 610     NAG C  128                                                       
REMARK 610     NAG D  127                                                       
REMARK 610     NAG D  128                                                       
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1DR9   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF A SOLUBLE FORM OF B7-1 (CD80)                   
DBREF  1I8L A    1   208  UNP    P33681   CD80_HUMAN      35    242             
DBREF  1I8L B    1   208  UNP    P33681   CD80_HUMAN      35    242             
DBREF  1I8L C    1   126  UNP    P16410   CTLA4_HUMAN     36    161             
DBREF  1I8L D    1   126  UNP    P16410   CTLA4_HUMAN     36    161             
SEQRES   1 A  208  VAL ILE HIS VAL THR LYS GLU VAL LYS GLU VAL ALA THR          
SEQRES   2 A  208  LEU SER CYS GLY HIS ASN VAL SER VAL GLU GLU LEU ALA          
SEQRES   3 A  208  GLN THR ARG ILE TYR TRP GLN LYS GLU LYS LYS MET VAL          
SEQRES   4 A  208  LEU THR MET MET SER GLY ASP MET ASN ILE TRP PRO GLU          
SEQRES   5 A  208  TYR LYS ASN ARG THR ILE PHE ASP ILE THR ASN ASN LEU          
SEQRES   6 A  208  SER ILE VAL ILE LEU ALA LEU ARG PRO SER ASP GLU GLY          
SEQRES   7 A  208  THR TYR GLU CYS VAL VAL LEU LYS TYR GLU LYS ASP ALA          
SEQRES   8 A  208  PHE LYS ARG GLU HIS LEU ALA GLU VAL THR LEU SER VAL          
SEQRES   9 A  208  LYS ALA ASP PHE PRO THR PRO SER ILE SER ASP PHE GLU          
SEQRES  10 A  208  ILE PRO THR SER ASN ILE ARG ARG ILE ILE CYS SER THR          
SEQRES  11 A  208  SER GLY GLY PHE PRO GLU PRO HIS LEU SER TRP LEU GLU          
SEQRES  12 A  208  ASN GLY GLU GLU LEU ASN ALA ILE ASN THR THR VAL SER          
SEQRES  13 A  208  GLN ASP PRO GLU THR GLU LEU TYR ALA VAL SER SER LYS          
SEQRES  14 A  208  LEU ASP PHE ASN MET THR THR ASN HIS SER PHE MET CYS          
SEQRES  15 A  208  LEU ILE LYS TYR GLY HIS LEU ARG VAL ASN GLN THR PHE          
SEQRES  16 A  208  ASN TRP ASN THR THR LYS GLN GLU HIS PHE PRO ASP ASN          
SEQRES   1 B  208  VAL ILE HIS VAL THR LYS GLU VAL LYS GLU VAL ALA THR          
SEQRES   2 B  208  LEU SER CYS GLY HIS ASN VAL SER VAL GLU GLU LEU ALA          
SEQRES   3 B  208  GLN THR ARG ILE TYR TRP GLN LYS GLU LYS LYS MET VAL          
SEQRES   4 B  208  LEU THR MET MET SER GLY ASP MET ASN ILE TRP PRO GLU          
SEQRES   5 B  208  TYR LYS ASN ARG THR ILE PHE ASP ILE THR ASN ASN LEU          
SEQRES   6 B  208  SER ILE VAL ILE LEU ALA LEU ARG PRO SER ASP GLU GLY          
SEQRES   7 B  208  THR TYR GLU CYS VAL VAL LEU LYS TYR GLU LYS ASP ALA          
SEQRES   8 B  208  PHE LYS ARG GLU HIS LEU ALA GLU VAL THR LEU SER VAL          
SEQRES   9 B  208  LYS ALA ASP PHE PRO THR PRO SER ILE SER ASP PHE GLU          
SEQRES  10 B  208  ILE PRO THR SER ASN ILE ARG ARG ILE ILE CYS SER THR          
SEQRES  11 B  208  SER GLY GLY PHE PRO GLU PRO HIS LEU SER TRP LEU GLU          
SEQRES  12 B  208  ASN GLY GLU GLU LEU ASN ALA ILE ASN THR THR VAL SER          
SEQRES  13 B  208  GLN ASP PRO GLU THR GLU LEU TYR ALA VAL SER SER LYS          
SEQRES  14 B  208  LEU ASP PHE ASN MET THR THR ASN HIS SER PHE MET CYS          
SEQRES  15 B  208  LEU ILE LYS TYR GLY HIS LEU ARG VAL ASN GLN THR PHE          
SEQRES  16 B  208  ASN TRP ASN THR THR LYS GLN GLU HIS PHE PRO ASP ASN          
SEQRES   1 C  126  LYS ALA MET HIS VAL ALA GLN PRO ALA VAL VAL LEU ALA          
SEQRES   2 C  126  SER SER ARG GLY ILE ALA SER PHE VAL CYS GLU TYR ALA          
SEQRES   3 C  126  SER PRO GLY LYS ALA THR GLU VAL ARG VAL THR VAL LEU          
SEQRES   4 C  126  ARG GLN ALA ASP SER GLN VAL THR GLU VAL CYS ALA ALA          
SEQRES   5 C  126  THR TYR MET MET GLY ASN GLU LEU THR PHE LEU ASP ASP          
SEQRES   6 C  126  SER ILE CYS THR GLY THR SER SER GLY ASN GLN VAL ASN          
SEQRES   7 C  126  LEU THR ILE GLN GLY LEU ARG ALA MET ASP THR GLY LEU          
SEQRES   8 C  126  TYR ILE CYS LYS VAL GLU LEU MET TYR PRO PRO PRO TYR          
SEQRES   9 C  126  TYR LEU GLY ILE GLY ASN GLY ALA GLN ILE TYR VAL ILE          
SEQRES  10 C  126  ASP PRO GLU PRO CYS PRO ASP SER ASP                          
SEQRES   1 D  126  LYS ALA MET HIS VAL ALA GLN PRO ALA VAL VAL LEU ALA          
SEQRES   2 D  126  SER SER ARG GLY ILE ALA SER PHE VAL CYS GLU TYR ALA          
SEQRES   3 D  126  SER PRO GLY LYS ALA THR GLU VAL ARG VAL THR VAL LEU          
SEQRES   4 D  126  ARG GLN ALA ASP SER GLN VAL THR GLU VAL CYS ALA ALA          
SEQRES   5 D  126  THR TYR MET MET GLY ASN GLU LEU THR PHE LEU ASP ASP          
SEQRES   6 D  126  SER ILE CYS THR GLY THR SER SER GLY ASN GLN VAL ASN          
SEQRES   7 D  126  LEU THR ILE GLN GLY LEU ARG ALA MET ASP THR GLY LEU          
SEQRES   8 D  126  TYR ILE CYS LYS VAL GLU LEU MET TYR PRO PRO PRO TYR          
SEQRES   9 D  126  TYR LEU GLY ILE GLY ASN GLY ALA GLN ILE TYR VAL ILE          
SEQRES  10 D  126  ASP PRO GLU PRO CYS PRO ASP SER ASP                          
HET    NAG  A 209      14                                                       
HET    NAG  A 210      14                                                       
HET    NAG  A 211      14                                                       
HET    NAG  A 212      14                                                       
HET    MAN  A 213      11                                                       
HET    NAG  A 214      14                                                       
HET    NAG  A 215      14                                                       
HET    NAG  A 216      14                                                       
HET    NAG  B 209      14                                                       
HET    NAG  B 210      14                                                       
HET    NAG  B 211      14                                                       
HET    NAG  B 212      14                                                       
HET    MAN  B 213      11                                                       
HET    NAG  B 214      14                                                       
HET    NAG  B 215      14                                                       
HET    NAG  B 216      14                                                       
HET    NAG  C 127      14                                                       
HET    NAG  C 128      14                                                       
HET    NAG  D 127      14                                                       
HET    NAG  D 128      14                                                       
HETNAM     NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE                         
HETNAM     MAN ALPHA-D-MANNOPYRANOSE                                            
FORMUL   5  NAG    18(C8 H15 N O6)                                              
FORMUL   9  MAN    2(C6 H12 O6)                                                 
HELIX    1   1 SER A   21  ALA A   26  1                                   6    
HELIX    2   2 ARG A   73  GLU A   77  5                                   5    
HELIX    3   3 SER B   21  ALA B   26  1                                   6    
HELIX    4   4 ARG B   73  GLU B   77  5                                   5    
HELIX    5   5 ARG C   85  THR C   89  5                                   5    
SHEET    1   A 6 ILE A   2  GLU A   7  0                                        
SHEET    2   A 6 ALA A  91  LYS A 105  1  O  GLU A  99   N  ILE A   2           
SHEET    3   A 6 GLY A  78  GLU A  88 -1  O  GLY A  78   N  LEU A 102           
SHEET    4   A 6 THR A  28  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  O  ASP A  46   N  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  N  ILE A  58   O  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  O  ARG A 125   N  PHE A 116           
SHEET    3   C 4 TYR A 164  ASN A 173 -1  N  TYR A 164   O  GLY A 133           
SHEET    4   C 4 THR A 153  GLN A 157 -1  N  THR A 154   O  SER A 167           
SHEET    1   D 3 PRO A 137  LEU A 142  0                                        
SHEET    2   D 3 SER A 179  TYR A 186 -1  N  MET A 181   O  LEU A 142           
SHEET    3   D 3 LEU A 189  VAL A 191 -1  O  LEU A 189   N  TYR A 186           
SHEET    1   E 3 PRO A 137  LEU A 142  0                                        
SHEET    2   E 3 SER A 179  TYR A 186 -1  N  MET A 181   O  LEU A 142           
SHEET    3   E 3 THR A 194  ASN A 196 -1  N  PHE A 195   O  PHE A 180           
SHEET    1   F 5 ILE B   2  GLU B   7  0                                        
SHEET    2   F 5 ALA B  91  LYS B 105  1  O  GLU B  99   N  ILE B   2           
SHEET    3   F 5 GLY B  78  GLU B  88 -1  N  GLY B  78   O  LEU B 102           
SHEET    4   F 5 THR B  28  LYS B  34 -1  O  ARG B  29   N  LEU B  85           
SHEET    5   F 5 LYS B  37  MET B  43 -1  N  LYS B  37   O  LYS B  34           
SHEET    1   G 3 ALA B  12  LEU B  14  0                                        
SHEET    2   G 3 SER B  66  ILE B  69 -1  O  ILE B  67   N  LEU B  14           
SHEET    3   G 3 THR B  57  ASP B  60 -1  O  ILE B  58   N  VAL B  68           
SHEET    1   H 4 SER B 112  GLU B 117  0                                        
SHEET    2   H 4 ILE B 123  GLY B 133 -1  N  ARG B 125   O  PHE B 116           
SHEET    3   H 4 TYR B 164  ASN B 173 -1  N  TYR B 164   O  GLY B 133           
SHEET    4   H 4 ASN B 152  GLN B 157 -1  O  ASN B 152   N  LYS B 169           
SHEET    1   I 3 LEU B 139  LEU B 142  0                                        
SHEET    2   I 3 HIS B 178  TYR B 186 -1  N  MET B 181   O  LEU B 142           
SHEET    3   I 3 LEU B 189  TRP B 197 -1  O  LEU B 189   N  TYR B 186           
SHEET    1   J 3 VAL C   5  ALA C   6  0                                        
SHEET    2   J 3 ALA C  19  TYR C  25 -1  O  GLU C  24   N  ALA C   6           
SHEET    3   J 3 GLN C  76  ILE C  81 -1  N  VAL C  77   O  CYS C  23           
SHEET    1   K 4 GLU C  48  MET C  55  0                                        
SHEET    2   K 4 GLU C  33  GLN C  41 -1  O  VAL C  34   N  TYR C  54           
SHEET    3   K 4 GLY C  90  TYR C 100 -1  O  LEU C  91   N  GLN C  41           
SHEET    4   K 4 TYR C 105  ILE C 108 -1  O  TYR C 105   N  LEU C  98           
SHEET    1   L 5 GLU C  48  MET C  55  0                                        
SHEET    2   L 5 GLU C  33  GLN C  41 -1  O  VAL C  34   N  TYR C  54           
SHEET    3   L 5 GLY C  90  TYR C 100 -1  O  LEU C  91   N  GLN C  41           
SHEET    4   L 5 ALA C 112  TYR C 115 -1  O  ALA C 112   N  TYR C  92           
SHEET    5   L 5 VAL C  10  LEU C  12  1  N  VAL C  11   O  GLN C 113           
SHEET    1   M 4 VAL D   5  ALA D   6  0                                        
SHEET    2   M 4 PHE D  21  TYR D  25 -1  O  GLU D  24   N  ALA D   6           
SHEET    3   M 4 GLN D  76  LEU D  79 -1  N  VAL D  77   O  CYS D  23           
SHEET    4   M 4 SER D  72  SER D  73 -1  O  SER D  73   N  GLN D  76           
SHEET    1   N 3 VAL D  10  LEU D  12  0                                        
SHEET    2   N 3 ALA D 112  TYR D 115  1  O  GLN D 113   N  VAL D  11           
SHEET    3   N 3 GLY D  90  TYR D  92 -1  O  GLY D  90   N  ILE D 114           
SHEET    1   O 4 GLN D  45  TYR D  54  0                                        
SHEET    2   O 4 GLU D  33  ALA D  42 -1  O  VAL D  34   N  TYR D  54           
SHEET    3   O 4 CYS D  94  TYR D 100 -1  N  LYS D  95   O  THR D  37           
SHEET    4   O 4 TYR D 105  ILE D 108 -1  O  TYR D 105   N  LEU D  98           
SSBOND   1 CYS A   16    CYS A   82                          1555   1555  2.04  
SSBOND   2 CYS A  128    CYS A  182                          1555   1555  2.03  
SSBOND   3 CYS B   16    CYS B   82                          1555   1555  2.05  
SSBOND   4 CYS B  128    CYS B  182                          1555   1555  2.03  
SSBOND   5 CYS C   23    CYS C   94                          1555   1555  2.03  
SSBOND   6 CYS C   50    CYS C   68                          1555   1555  2.03  
SSBOND   7 CYS D   23    CYS D   94                          1555   1555  2.03  
SSBOND   8 CYS D   50    CYS D   68                          1555   1555  2.03  
CISPEP   1 PHE A  134    PRO A  135          0        -1.23                     
CISPEP   2 PHE B  134    PRO B  135          0        -0.07                     
CISPEP   3 TYR C  100    PRO C  101          0         0.12                     
CISPEP   4 PRO C  102    PRO C  103          0         3.40                     
CISPEP   5 TYR D  100    PRO D  101          0        -1.66                     
CISPEP   6 PRO D  102    PRO D  103          0         2.97                     
CRYST1   88.600  183.238  230.726  90.00  90.00  90.00 C 2 2 21     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      0.011287  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.005457  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.004334        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system