GenomeNet

Database: PDB
Entry: 1L3Y
LinkDB: 1L3Y
Original site: 1L3Y 
HEADER    CELL ADHESION                           03-MAR-02   1L3Y              
TITLE     INTEGRIN EGF-LIKE MODULE 3 FROM THE BETA-2 SUBUNIT                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INTEGRIN BETA-2:CYSTEINE-RICH MODULE 3;                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 535-574;                                          
COMPND   5 SYNONYM: CELL SURFACE ADHESION GLYCOPROTEINS LFA-                    
COMPND   6 1/CR3/P150,95, CD18, BETA-SUBUNIT, COMPLEMENT RECEPTOR C3            
COMPND   7 BETA-SUBUNIT;                                                        
COMPND   8 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: ESCHERICHIA COLI BL21;                            
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID                               
KEYWDS    INTEGRIN, BETA-2 SUBUNIT, CELL ADHESION, CYSTEINE-RICH                
KEYWDS   2 MODULE, EGF-LIKE MODULE                                              
EXPDTA    SOLUTION NMR                                                          
NUMMDL    15                                                                    
AUTHOR    N.BEGLOVA,S.C.BLACKLOW,J.TAKAGI,T.A.SPRINGER                          
REVDAT   2   24-FEB-09 1L3Y    1       VERSN                                    
REVDAT   1   01-APR-02 1L3Y    0                                                
JRNL        AUTH   N.BEGLOVA,S.C.BLACKLOW,J.TAKAGI,T.A.SPRINGER                 
JRNL        TITL   CYSTEINE-RICH MODULE STRUCTURE REVEALS A FULCRUM             
JRNL        TITL 2 FOR INTEGRIN REARRANGEMENT UPON ACTIVATION.                  
JRNL        REF    NAT.STRUCT.BIOL.              V.   9   282 2002              
JRNL        REFN                   ISSN 1072-8368                               
JRNL        PMID   11896403                                                     
JRNL        DOI    10.1038/NSB779                                               
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.0                                              
REMARK   3   AUTHORS     : BRUNGER, A                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1L3Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-MAR-02.                  
REMARK 100 THE RCSB ID CODE IS RCSB015624.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6.2                                
REMARK 210  IONIC STRENGTH                 : 5MM NAPO4                          
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1 MM I-EGF3 U-15N, 5 MM            
REMARK 210                                   NAPO4; 1 MM I-EGF3, 5 MM NAPO4     
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_15N-SEPARATED_NOESY, 3D_        
REMARK 210                                   15N-SEPARATED_TOCSY, HMQC-J,       
REMARK 210                                   1H-NOESY, 1H-TOCSY, DQF-COSY       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DRX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : GIFA 4.3, XEASY 1.3.13, CNS        
REMARK 210                                   1.0                                
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 15                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH ACCEPTABLE         
REMARK 210                                   COVALENT GEOMETRY,STRUCTURES       
REMARK 210                                   WITH THE LOWEST ENERGY             
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 CYS A   7      133.25    -29.20                                   
REMARK 500  1 ASN A  11      -86.14   -155.45                                   
REMARK 500  1 GLN A  13     -116.11   -106.58                                   
REMARK 500  1 VAL A  14      111.50   -168.65                                   
REMARK 500  1 CYS A  15       40.08     71.70                                   
REMARK 500  1 CYS A  25       90.53    -32.27                                   
REMARK 500  1 GLU A  35      -83.11   -155.07                                   
REMARK 500  1 ALA A  38      -80.46   -143.71                                   
REMARK 500  1 CYS A  39       41.37   -155.96                                   
REMARK 500  2 ASP A   3     -124.79   -175.28                                   
REMARK 500  2 ILE A   5       80.39   -156.30                                   
REMARK 500  2 ASN A  11       49.76   -156.05                                   
REMARK 500  2 GLN A  13     -165.05   -105.05                                   
REMARK 500  2 CYS A  15       46.15     74.70                                   
REMARK 500  2 PHE A  24      -97.43   -156.06                                   
REMARK 500  2 GLU A  35      -83.53   -155.14                                   
REMARK 500  2 ALA A  38      -80.35   -145.18                                   
REMARK 500  2 CYS A  39       40.67   -155.99                                   
REMARK 500  3 CYS A   2     -164.53     43.93                                   
REMARK 500  3 ASP A   3     -118.72     80.02                                   
REMARK 500  3 TYR A  10     -149.26    -88.37                                   
REMARK 500  3 CYS A  15       43.69     84.36                                   
REMARK 500  3 CYS A  25      102.51    -37.46                                   
REMARK 500  3 GLU A  35     -152.98   -155.40                                   
REMARK 500  3 ALA A  38      -81.39   -140.84                                   
REMARK 500  3 CYS A  39       39.33   -157.10                                   
REMARK 500  4 CYS A   2      -36.34   -177.10                                   
REMARK 500  4 CYS A   7      136.61    -18.85                                   
REMARK 500  4 ASN A  11      -79.96   -156.14                                   
REMARK 500  4 VAL A  14      106.16     43.59                                   
REMARK 500  4 CYS A  15       40.13     80.28                                   
REMARK 500  4 LEU A  22     -150.08   -104.10                                   
REMARK 500  4 PHE A  24     -102.72   -156.45                                   
REMARK 500  4 CYS A  25       77.31    -56.08                                   
REMARK 500  4 GLU A  35      -90.28   -154.33                                   
REMARK 500  4 ALA A  38      -81.96   -136.84                                   
REMARK 500  4 CYS A  39       42.40   -156.13                                   
REMARK 500  5 ASP A   3     -148.81    178.72                                   
REMARK 500  5 ILE A   5       67.22   -155.45                                   
REMARK 500  5 TYR A  10     -146.19    -92.16                                   
REMARK 500  5 GLN A  13     -156.81   -149.57                                   
REMARK 500  5 ARG A  20      -42.45   -155.13                                   
REMARK 500  5 CYS A  25       72.76    -55.04                                   
REMARK 500  5 GLU A  35     -102.65   -155.44                                   
REMARK 500  5 ALA A  38      -73.62   -138.56                                   
REMARK 500  5 CYS A  39       20.21   -157.35                                   
REMARK 500  6 CYS A   2      -32.04   -177.48                                   
REMARK 500  6 ASP A   3     -155.61   -167.56                                   
REMARK 500  6 ASN A   6       53.52    -93.89                                   
REMARK 500  6 CYS A   7      135.16     -7.77                                   
REMARK 500  6 TYR A  10     -134.83    -85.59                                   
REMARK 500  6 GLN A  13     -133.51   -115.21                                   
REMARK 500  6 CYS A  25       86.25    -41.95                                   
REMARK 500  6 GLU A  35     -140.41   -142.44                                   
REMARK 500  6 ALA A  38      -79.88   -145.77                                   
REMARK 500  6 CYS A  39       26.56   -155.90                                   
REMARK 500  7 ASP A   3       -4.04   -177.19                                   
REMARK 500  7 ASN A   6       37.99   -155.76                                   
REMARK 500  7 CYS A   7      147.77    -35.51                                   
REMARK 500  7 ASN A  11      -77.86   -155.71                                   
REMARK 500  7 VAL A  14       92.01     70.67                                   
REMARK 500  7 CYS A  15       34.87    104.96                                   
REMARK 500  7 LEU A  22     -166.16   -122.43                                   
REMARK 500  7 PHE A  24     -101.21   -155.78                                   
REMARK 500  7 CYS A  25       80.30    -55.61                                   
REMARK 500  7 GLU A  35      -96.60   -155.54                                   
REMARK 500  7 ALA A  38      -79.96   -148.68                                   
REMARK 500  7 CYS A  39       39.37   -157.17                                   
REMARK 500  8 CYS A   2      -62.17   -145.23                                   
REMARK 500  8 ASP A   3     -160.24   -167.17                                   
REMARK 500  8 ILE A   5       79.35   -156.34                                   
REMARK 500  8 CYS A   7      149.35     47.73                                   
REMARK 500  8 ASN A  11      -85.33   -155.79                                   
REMARK 500  8 GLN A  13     -159.96   -110.76                                   
REMARK 500  8 CYS A  15       48.15     86.21                                   
REMARK 500  8 CYS A  25       77.36    -47.27                                   
REMARK 500  8 GLU A  35      -91.61   -153.39                                   
REMARK 500  8 ALA A  38      -79.31   -155.21                                   
REMARK 500  8 CYS A  39       36.95   -156.55                                   
REMARK 500  9 ASP A   3     -138.58   -178.75                                   
REMARK 500  9 ILE A   5       72.44   -155.23                                   
REMARK 500  9 TYR A  10     -125.51    -84.91                                   
REMARK 500  9 GLN A  13     -125.95   -101.75                                   
REMARK 500  9 CYS A  25       83.57    -34.46                                   
REMARK 500  9 GLU A  35      -88.71   -155.40                                   
REMARK 500  9 ALA A  38      -82.89   -144.09                                   
REMARK 500  9 CYS A  39       42.88   -157.47                                   
REMARK 500 10 ASP A   3     -141.68     82.23                                   
REMARK 500 10 ILE A   5       74.34   -155.31                                   
REMARK 500 10 ASN A  11       62.43   -155.66                                   
REMARK 500 10 PHE A  24     -157.80   -156.89                                   
REMARK 500 10 CYS A  25       94.21    -24.87                                   
REMARK 500 10 GLU A  35      -90.30   -155.33                                   
REMARK 500 10 ALA A  38      -83.20   -146.27                                   
REMARK 500 10 CYS A  39       45.05   -156.48                                   
REMARK 500 11 CYS A   2      -64.58     68.05                                   
REMARK 500 11 ASP A   3     -161.91    172.99                                   
REMARK 500 11 ILE A   5       79.59   -155.75                                   
REMARK 500 11 ASN A  11      -38.07   -156.24                                   
REMARK 500 11 VAL A  14       98.89     84.96                                   
REMARK 500 11 CYS A  25      122.19    -24.04                                   
REMARK 500 11 LYS A  27     -157.93   -155.84                                   
REMARK 500 11 GLU A  35      -83.69   -155.08                                   
REMARK 500 11 ALA A  38      -81.84   -138.53                                   
REMARK 500 11 CYS A  39       44.21   -156.93                                   
REMARK 500 12 ASP A   3     -123.36    -47.10                                   
REMARK 500 12 ILE A   5       71.77   -156.16                                   
REMARK 500 12 ASN A  11      -74.40   -155.89                                   
REMARK 500 12 VAL A  14      105.73     43.53                                   
REMARK 500 12 CYS A  15       36.62     80.98                                   
REMARK 500 12 PHE A  24      -95.47   -155.82                                   
REMARK 500 12 GLU A  35      -82.39   -154.40                                   
REMARK 500 12 ALA A  38      -82.74   -137.84                                   
REMARK 500 12 CYS A  39       44.19   -156.50                                   
REMARK 500 13 CYS A   2      120.07     62.41                                   
REMARK 500 13 ASP A   3     -135.28   -148.10                                   
REMARK 500 13 ILE A   5       66.69   -155.63                                   
REMARK 500 13 CYS A   7      173.05    -44.66                                   
REMARK 500 13 ASN A  11      -85.72   -156.21                                   
REMARK 500 13 CYS A  15       49.25   -166.00                                   
REMARK 500 13 PHE A  24     -108.97   -155.84                                   
REMARK 500 13 ARG A  29       64.67   -155.17                                   
REMARK 500 13 GLU A  35      -87.25   -151.33                                   
REMARK 500 13 ALA A  38      -83.65   -127.86                                   
REMARK 500 13 CYS A  39       43.45   -156.36                                   
REMARK 500 14 ASP A   3     -124.76   -158.20                                   
REMARK 500 14 ILE A   5       69.51   -156.23                                   
REMARK 500 14 TYR A  10     -147.09    -95.12                                   
REMARK 500 14 GLN A  13     -156.33   -155.56                                   
REMARK 500 14 CYS A  25       85.94    -24.71                                   
REMARK 500 14 GLU A  35      -90.98   -155.00                                   
REMARK 500 14 ALA A  38      -78.61   -154.92                                   
REMARK 500 14 CYS A  39       35.67   -156.29                                   
REMARK 500 15 CYS A   2      -74.94   -109.28                                   
REMARK 500 15 ASP A   3     -170.59     72.70                                   
REMARK 500 15 ASN A  11       44.71   -155.62                                   
REMARK 500 15 GLN A  13      -77.74    -84.59                                   
REMARK 500 15 VAL A  14      108.29    145.72                                   
REMARK 500 15 CYS A  25       94.52    -31.74                                   
REMARK 500 15 GLU A  35      -88.22   -148.17                                   
REMARK 500 15 ALA A  38      -74.67   -155.18                                   
REMARK 500 15 CYS A  39       33.54   -155.74                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1L3Y A    1    40  UNP    P05107   ITB2_HUMAN     535    574             
SEQADV 1L3Y ALA A   41  UNP  P05107              CLONING ARTIFACT               
SEQRES   1 A   41  GLU CYS ASP THR ILE ASN CYS GLU ARG TYR ASN GLY GLN          
SEQRES   2 A   41  VAL CYS GLY GLY PRO GLY ARG GLY LEU CYS PHE CYS GLY          
SEQRES   3 A   41  LYS CYS ARG CYS HIS PRO GLY PHE GLU GLY SER ALA CYS          
SEQRES   4 A   41  GLN ALA                                                      
HELIX    1   1 GLY A   16  ARG A   20  1                                   5    
SHEET    1   A 2 GLY A  21  PHE A  24  0                                        
SHEET    2   A 2 LYS A  27  CYS A  30 -1  O  LYS A  27   N  PHE A  24           
SSBOND   1 CYS A    2    CYS A   25                          1555   1555  2.03  
SSBOND   2 CYS A    7    CYS A   23                          1555   1555  2.03  
SSBOND   3 CYS A   15    CYS A   28                          1555   1555  2.03  
SSBOND   4 CYS A   30    CYS A   39                          1555   1555  2.03  
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                                                                             
DBGET integrated database retrieval system