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Database: PDB
Entry: 2K1A
LinkDB: 2K1A
Original site: 2K1A 
HEADER    CELL ADHESION                           25-FEB-08   2K1A              
TITLE     BICELLE-EMBEDDED INTEGRIN ALPHA(IIB) TRANSMEMBRANE SEGMENT            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INTEGRIN ALPHA-IIB;                                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: TRANSMEMBRANE REGION;                                      
COMPND   5 SYNONYM: PLATELET MEMBRANE GLYCOPROTEIN IIB, GPALPHA IIB,            
COMPND   6 GPIIB, CD41 ANTIGEN;                                                 
COMPND   7 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-GB3R-AIIB,TM                         
KEYWDS    SINGLE-PASS TRANSMEMBRANE SEGMENT, ALTERNATIVE SPLICING,              
KEYWDS   2 CALCIUM, CELL ADHESION, CLEAVAGE ON PAIR OF BASIC RESIDUES,          
KEYWDS   3 DISEASE MUTATION, GLYCOPROTEIN, INTEGRIN, POLYMORPHISM,              
KEYWDS   4 PYRROLIDONE CARBOXYLIC ACID, RECEPTOR                                
EXPDTA    SOLUTION NMR                                                          
NUMMDL    21                                                                    
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    T.-L.LAU,V.DUA,T.S.ULMER                                              
REVDAT   3   24-FEB-09 2K1A    1       VERSN                                    
REVDAT   2   17-JUN-08 2K1A    1       JRNL                                     
REVDAT   1   15-APR-08 2K1A    0                                                
JRNL        AUTH   T.L.LAU,V.DUA,T.S.ULMER                                      
JRNL        TITL   STRUCTURE OF THE INTEGRIN {ALPHA}IIB TRANSMEMBRANE           
JRNL        TITL 2 SEGMENT.                                                     
JRNL        REF    J.BIOL.CHEM.                  V. 283 16162 2008              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   18417472                                                     
JRNL        DOI    10.1074/JBC.M801748200                                       
REMARK   1                                                                      
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 2K1A COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-MAR-08.                  
REMARK 100 THE RCSB ID CODE IS RCSB100549.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 308.2                              
REMARK 210  PH                             : 7.4                                
REMARK 210  IONIC STRENGTH                 : 0.025                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.6 MM [U-100% 13C; U-100%         
REMARK 210                                   15N; 80% 2H] PROTEIN, 95% H2O/     
REMARK 210                                   5% D2O                             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D TRIPLE RESONANCE, 3D HNCO-J     
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 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 ALA A 958      -50.35   -162.88                                   
REMARK 500  1 ALA A 963      -14.85     72.16                                   
REMARK 500  1 ILE A 964       61.12     17.29                                   
REMARK 500  1 PRO A 965       68.34    -63.57                                   
REMARK 500  1 ARG A 995      -78.67   -115.63                                   
REMARK 500  1 ASN A 996       17.66     45.56                                   
REMARK 500  2 ALA A 963        0.78   -154.82                                   
REMARK 500  2 PHE A 992       -1.64    -52.64                                   
REMARK 500  3 PHE A 992       -1.24    -52.50                                   
REMARK 500  4 ILE A 964       77.35     49.01                                   
REMARK 500  4 PHE A 992       -1.95    -52.98                                   
REMARK 500  5 GLU A 960      -76.33    -56.27                                   
REMARK 500  5 PRO A 965       44.13    -77.47                                   
REMARK 500  5 PHE A 992       -0.93    -54.13                                   
REMARK 500  5 LYS A 994      129.52     60.28                                   
REMARK 500  5 ARG A 997      163.40    -41.39                                   
REMARK 500  6 PHE A 992        0.26    -57.45                                   
REMARK 500  6 LYS A 994      105.22     62.71                                   
REMARK 500  7 PHE A 992       -1.56    -52.63                                   
REMARK 500  7 LYS A 994      -39.64   -161.58                                   
REMARK 500  8 PRO A 965       48.33    -76.83                                   
REMARK 500  8 PHE A 992       -2.91    -53.02                                   
REMARK 500  8 LYS A 994     -178.93     54.80                                   
REMARK 500  9 ALA A 963     -158.85     44.19                                   
REMARK 500  9 ILE A 964       74.63   -172.37                                   
REMARK 500  9 PRO A 965       47.54    -80.19                                   
REMARK 500  9 PHE A 992       -1.37    -52.67                                   
REMARK 500  9 ARG A 997      154.90    -44.50                                   
REMARK 500 11 ILE A 964       84.52     46.89                                   
REMARK 500 11 PHE A 992       -1.58    -53.00                                   
REMARK 500 12 ALA A 963     -165.96     43.01                                   
REMARK 500 12 PHE A 992       -1.37    -52.63                                   
REMARK 500 12 ARG A 997      153.48    -49.57                                   
REMARK 500 13 ALA A 963       13.20   -148.32                                   
REMARK 500 13 PHE A 992       -2.17    -51.93                                   
REMARK 500 13 ARG A 995     -126.47    -88.62                                   
REMARK 500 14 ALA A 958       94.54     46.15                                   
REMARK 500 14 ILE A 964       79.16     60.35                                   
REMARK 500 14 PHE A 992       -1.81    -53.40                                   
REMARK 500 15 GLU A 960       82.83     37.78                                   
REMARK 500 15 PHE A 992       -1.87    -52.79                                   
REMARK 500 15 ARG A 995       36.03    -88.83                                   
REMARK 500 16 ILE A 964       72.28     29.94                                   
REMARK 500 16 PHE A 992       -2.50    -52.16                                   
REMARK 500 17 ILE A 964       72.45   -173.15                                   
REMARK 500 18 ALA A 963       80.16    165.88                                   
REMARK 500 18 ILE A 964       70.41     41.10                                   
REMARK 500 18 PHE A 992       -2.98    -51.92                                   
REMARK 500 19 GLU A 960     -167.95     49.46                                   
REMARK 500 19 ILE A 964       52.75   -142.80                                   
REMARK 500 20 LEU A 959     -169.04     56.11                                   
REMARK 500 20 GLU A 961       68.14     36.45                                   
REMARK 500 21 PHE A 992       -2.67    -53.52                                   
REMARK 500 21 ARG A 997      160.05    -47.62                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 650                                                                      
REMARK 650 HELIX DETERMINATION METHOD: AUTHOR                                   
DBREF  2K1A A  958   998  UNP    P08514   ITA2B_HUMAN    989   1029             
SEQADV 2K1A GLY A  957  UNP  P08514              EXPRESSION TAG                 
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                                                  
HELIX    1   1 ILE A  966  LYS A  989  1                                  24    
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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