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Database: PDB
Entry: 2K9J
LinkDB: 2K9J
Original site: 2K9J 
HEADER    MEMBRANE PROTEIN                        15-OCT-08   2K9J              
TITLE     INTEGRIN ALPHAIIB-BETA3 TRANSMEMBRANE COMPLEX                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INTEGRIN ALPHA-IIB LIGHT CHAIN;                            
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: TRANSMEMBRANE DOMAIN;                                      
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: INTEGRIN BETA-3;                                           
COMPND   8 CHAIN: B;                                                            
COMPND   9 FRAGMENT: TRANSMEMBRANE DOMAIN;                                      
COMPND  10 SYNONYM: PLATELET MEMBRANE GLYCOPROTEIN IIIA, GPIIIA, CD61 ANTIGEN;  
COMPND  11 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: ITGA2B, GP2B, ITGAB;                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET44-GB3-AIIB,TM;                         
SOURCE   9 MOL_ID: 2;                                                           
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
SOURCE  12 ORGANISM_TAXID: 9606;                                                
SOURCE  13 GENE: ITGB3, GP3A;                                                   
SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  15 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  16 EXPRESSION_SYSTEM_VECTOR: PET44-KSI-B3TM                             
KEYWDS    INTEGRIN, TRANSMEMBRANE COMPLEX, CELL ADHESION, CLEAVAGE ON PAIR OF   
KEYWDS   2 BASIC RESIDUES, DISEASE MUTATION, GLYCOPROTEIN, PYRROLIDONE          
KEYWDS   3 CARBOXYLIC ACID, RECEPTOR, HOST-VIRUS INTERACTION, PHOSPHOPROTEIN,   
KEYWDS   4 MEMBRANE PROTEIN                                                     
EXPDTA    SOLUTION NMR                                                          
NUMMDL    21                                                                    
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    T.LAU,C.KIM,M.H.GINSBERG,T.S.ULMER                                    
REVDAT   3   06-APR-11 2K9J    1       REMARK                                   
REVDAT   2   26-MAY-09 2K9J    1       JRNL                                     
REVDAT   1   24-MAR-09 2K9J    0                                                
JRNL        AUTH   T.L.LAU,C.KIM,M.H.GINSBERG,T.S.ULMER                         
JRNL        TITL   THE STRUCTURE OF THE INTEGRIN ALPHAIIBBETA3 TRANSMEMBRANE    
JRNL        TITL 2 COMPLEX EXPLAINS INTEGRIN TRANSMEMBRANE SIGNALLING           
JRNL        REF    EMBO J.                       V.  28  1351 2009              
JRNL        REFN                   ISSN 0261-4189                               
JRNL        PMID   19279667                                                     
JRNL        DOI    10.1038/EMBOJ.2009.63                                        
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR_NIH                                           
REMARK   3   AUTHORS     : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2K9J COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-NOV-08.                  
REMARK 100 THE RCSB ID CODE IS RCSB100846.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 301.2                              
REMARK 210  PH                             : 7.4                                
REMARK 210  IONIC STRENGTH                 : 0.025                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.2 MM [U-100% 13C; U-100% 15N;    
REMARK 210                                   80% 2H] INTEGRIN ALPHA-IIB LIGHT   
REMARK 210                                   CHAIN, 1.2 MM [U-100% 13C; U-100%  
REMARK 210                                   15N; 80% 2H] INTEGRIN BETA-3, 95%  
REMARK 210                                   H2O/5% D2O                         
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : TRIPLE RESONANCE; NOESY, 13C/15N   
REMARK 210                                   -EDITED                            
REMARK 210  SPECTROMETER FIELD STRENGTH    : 700 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR_NIH                         
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 21                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 21                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : ALL CALCULATED STRUCTURES          
REMARK 210                                   SUBMITTED                          
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    ASP B   692     H    VAL B   696              1.35            
REMARK 500   H    LYS B   689     H    GLY B   690              1.40            
REMARK 500   O    VAL B   696     H    VAL B   700              1.54            
REMARK 500   H    SER B   687     HD3  PRO B   688              1.55            
REMARK 500   O    GLY B   690     H    ASP B   692              1.58            
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  1 LEU A 959     -113.57     36.50                                   
REMARK 500  1 GLU A 960       91.32    -33.35                                   
REMARK 500  1 GLU A 961      174.85    177.48                                   
REMARK 500  1 ARG A 962     -175.46     38.30                                   
REMARK 500  1 PRO A 965       -0.40    -51.45                                   
REMARK 500  1 GLU B 686       82.91    -50.66                                   
REMARK 500  1 SER B 687       57.94    126.68                                   
REMARK 500  1 PRO B 691       64.44    -56.35                                   
REMARK 500  1 LYS B 725        9.32    -63.35                                   
REMARK 500  2 ILE A 964       72.05     48.53                                   
REMARK 500  2 SER B 687       72.50     51.87                                   
REMARK 500  3 ILE A 964       68.40     31.36                                   
REMARK 500  4 GLU A 961      -77.39    -90.59                                   
REMARK 500  4 ILE A 964       64.46   -170.16                                   
REMARK 500  4 SER B 687       51.91   -170.40                                   
REMARK 500  5 SER B 687       74.05     54.60                                   
REMARK 500  6 ILE A 964       75.14   -117.41                                   
REMARK 500  7 SER B 687      -46.94    176.96                                   
REMARK 500  8 ILE A 964       39.91   -145.29                                   
REMARK 500  9 GLU A 960      109.76     56.50                                   
REMARK 500  9 ALA A 963      155.53     57.95                                   
REMARK 500  9 ILE A 964       68.53     60.57                                   
REMARK 500  9 SER B 687       73.79     50.99                                   
REMARK 500 10 ALA A 958       95.82     37.91                                   
REMARK 500 10 SER B 687       70.56     54.49                                   
REMARK 500 11 GLU A 960      123.16     57.06                                   
REMARK 500 11 SER B 687       73.79     50.08                                   
REMARK 500 12 SER B 687       73.43   -176.16                                   
REMARK 500 13 ALA A 958      124.42     58.47                                   
REMARK 500 13 GLU A 960       70.20     35.94                                   
REMARK 500 13 ILE A 964       77.65     63.29                                   
REMARK 500 14 SER B 687       73.23     47.31                                   
REMARK 500 15 GLU B 726      -88.13     49.12                                   
REMARK 500 16 ARG A 962       81.00     38.49                                   
REMARK 500 16 ILE A 964       59.59     35.14                                   
REMARK 500 16 SER B 687       70.63     53.11                                   
REMARK 500 17 SER B 687       72.50     49.52                                   
REMARK 500 17 LYS B 725       81.68     79.20                                   
REMARK 500 19 SER B 687       73.20     40.82                                   
REMARK 500 21 SER B 687       72.65   -177.89                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 650                                                                      
REMARK 650 HELIX                                                                
REMARK 650 DETERMINATION METHOD: AUTHOR                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2K1A   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2RMZ   RELATED DB: PDB                                   
DBREF  2K9J A  958   998  UNP    P08514   ITA2B_HUMAN    989   1029             
DBREF  2K9J B  685   727  UNP    P05106   ITB3_HUMAN     711    753             
SEQADV 2K9J GLY A  957  UNP  P08514              INSERTION                      
SEQADV 2K9J SER B  687  UNP  P05106    CYS   713 ENGINEERED                     
SEQRES   1 A   42  GLY ALA LEU GLU GLU ARG ALA ILE PRO ILE TRP TRP VAL          
SEQRES   2 A   42  LEU VAL GLY VAL LEU GLY GLY LEU LEU LEU LEU THR ILE          
SEQRES   3 A   42  LEU VAL LEU ALA MET TRP LYS VAL GLY PHE PHE LYS ARG          
SEQRES   4 A   42  ASN ARG PRO                                                  
SEQRES   1 B   43  PRO GLU SER PRO LYS GLY PRO ASP ILE LEU VAL VAL LEU          
SEQRES   2 B   43  LEU SER VAL MET GLY ALA ILE LEU LEU ILE GLY LEU ALA          
SEQRES   3 B   43  ALA LEU LEU ILE TRP LYS LEU LEU ILE THR ILE HIS ASP          
SEQRES   4 B   43  ARG LYS GLU PHE                                              
HELIX    1  A1 ILE A  966  LYS A  989  1                                  24    
HELIX    2  A2 ILE B  693  ASP B  723  1                                  31    
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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