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Database: PDB
Entry: 2LUV
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Original site: 2LUV 
HEADER    CELL ADHESION                           21-JUN-12   2LUV              
TITLE     STRUCTURE AND BINDING INTERFACE OF THE CYTOSOLIC TAILS OF AXB2        
TITLE    2 INTEGRIN                                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INTEGRIN ALPHA-X;                                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: CYTOPLASMIC DOMAIN, UNP RESIDUES 1129-1163;                
COMPND   5 SYNONYM: CD11 ANTIGEN-LIKE FAMILY MEMBER C, LEU M5, LEUKOCYTE        
COMPND   6 ADHESION GLYCOPROTEIN P150,95 ALPHA CHAIN, LEUKOCYTE ADHESION        
COMPND   7 RECEPTOR P150,95;                                                    
COMPND   8 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
SOURCE   5 ORGANISM_TAXID: 9606                                                 
KEYWDS    MYRISTOYLATED, DPC MICELLES, CELL ADHESION                            
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    G.L.CHUA,X.TANG,T.A.PATRA,S.M.TAN,S.BHATTACHARJYA                     
REVDAT   1   04-JUL-12 2LUV    0                                                
JRNL        AUTH   G.L.CHUA,X.TANG,T.A.PATRA,S.M.TAN,S.BHATTACHARJYA            
JRNL        TITL   STRUCTURE AND BINDING INTERFACE OF THE CYTOSOLIC TAILS OF    
JRNL        TITL 2 AXB2 INTEGRIN                                                
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 2.0                                            
REMARK   3   AUTHORS     : GUNTERT, MUMENTHALER AND WUTHRICH                    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2LUV COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 26-JUN-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB102862.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 308                                
REMARK 210  PH                             : 5.6                                
REMARK 210  IONIC STRENGTH                 : 0                                  
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 200MM [U-99% 2H] DPC-1, 10MM       
REMARK 210                                   SODIUM PHOSPHATE-2, 10% [U-100%    
REMARK 210                                   2H] D2O-3, 90% H2O/10% D2O; 200MM  
REMARK 210                                   [U-99% 2H] DPC-4, 10MM SODIUM      
REMARK 210                                   PHOSPHATE-5, 100% [U-100% 2H] D2O  
REMARK 210                                   -6, 100% D2O                       
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H TOCSY; 2D 1H-1H NOESY;    
REMARK 210                                   2D 1H-13C HSQC                     
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                 : TOPSPIN 2.1, SPARKY, CYANA 2.0     
REMARK 210   METHOD USED                   : NULL                               
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION                    
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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 VAL A   2      -40.05   -155.01                                   
REMARK 500  1 ASN A  24      104.25    -55.10                                   
REMARK 500  1 PRO A  29       64.96    -69.81                                   
REMARK 500  2 VAL A   2      -39.71   -155.12                                   
REMARK 500  2 ASN A  24      104.79    -51.87                                   
REMARK 500  2 PRO A  29       66.57    -69.75                                   
REMARK 500  3 VAL A   2      -39.55   -155.04                                   
REMARK 500  3 ASN A  24      104.10    -55.95                                   
REMARK 500  3 THR A  28      155.49    -47.73                                   
REMARK 500  3 PRO A  29       68.91    -69.74                                   
REMARK 500  4 VAL A   2      -39.87   -154.73                                   
REMARK 500  4 ASN A  24      104.01    -54.41                                   
REMARK 500  4 THR A  28      155.51    -47.76                                   
REMARK 500  4 PRO A  29       68.95    -69.76                                   
REMARK 500  5 VAL A   2      -39.62   -155.03                                   
REMARK 500  5 ASN A  24      104.13    -55.47                                   
REMARK 500  5 THR A  28      155.45    -47.76                                   
REMARK 500  5 PRO A  29       69.02    -69.75                                   
REMARK 500  5 PRO A  32       87.65    -69.75                                   
REMARK 500  6 VAL A   2      -39.73   -154.99                                   
REMARK 500  6 ASN A  24      104.21    -55.04                                   
REMARK 500  6 PRO A  29       64.97    -69.74                                   
REMARK 500  7 VAL A   2      -39.76   -155.05                                   
REMARK 500  7 ASN A  24      104.10    -55.95                                   
REMARK 500  7 PRO A  29       64.43    -69.73                                   
REMARK 500  7 PRO A  32     -171.48    -69.79                                   
REMARK 500  8 VAL A   2      -39.84   -154.69                                   
REMARK 500  8 ASN A  24      104.71    -51.78                                   
REMARK 500  8 PRO A  29       66.61    -69.73                                   
REMARK 500  9 VAL A   2      -39.44   -154.61                                   
REMARK 500  9 ASN A  24      104.17    -55.19                                   
REMARK 500  9 PRO A  29       64.98    -69.79                                   
REMARK 500 10 VAL A   2      -39.73   -155.16                                   
REMARK 500 10 ASN A  24      103.87    -51.91                                   
REMARK 500 10 THR A  26      -66.74    -93.10                                   
REMARK 500 10 PRO A  29       65.32    -69.72                                   
REMARK 500 11 VAL A   2      -39.40   -154.46                                   
REMARK 500 11 ASN A  24      104.12    -53.96                                   
REMARK 500 11 THR A  28      155.49    -47.75                                   
REMARK 500 11 PRO A  29       68.92    -69.75                                   
REMARK 500 12 VAL A   2      -39.94   -154.66                                   
REMARK 500 12 ASN A  24      103.60    -50.45                                   
REMARK 500 12 THR A  28      155.36    -47.77                                   
REMARK 500 12 PRO A  29       69.64    -69.77                                   
REMARK 500 13 VAL A   2      -39.66   -155.09                                   
REMARK 500 13 ASN A  24      103.68    -49.96                                   
REMARK 500 13 THR A  28      155.33    -47.87                                   
REMARK 500 13 PRO A  29       69.48    -69.74                                   
REMARK 500 13 PRO A  32       89.09    -69.77                                   
REMARK 500 14 VAL A   2      -39.70   -155.11                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      75 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2LKE   RELATED DB: PDB                                   
REMARK 900 MYRISTOYLATED ALPHAM IN DODECYLPHOSPHOLINE MICELLES                  
REMARK 900 RELATED ID: 2LKJ   RELATED DB: PDB                                   
REMARK 900 MYRISTOYLATED ALPHAM SER PHOSPHORYLATED IN                           
REMARK 900 DODECYLPHOSPHOLINE MICELLES                                          
REMARK 900 RELATED ID: 18542   RELATED DB: BMRB                                 
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THIS PEPTIDE IS CHEMICALLY SYNTHESIZED WITH A N-TERMINAL MYRISTATE   
REMARK 999 GROUP.                                                               
DBREF  2LUV A    1    35  UNP    P20702   ITAX_HUMAN    1129   1163             
SEQRES   1 A   35  LYS VAL GLY PHE PHE LYS ARG GLN TYR LYS GLU MET MET          
SEQRES   2 A   35  GLU GLU ALA ASN GLY GLN ILE ALA PRO GLU ASN GLY THR          
SEQRES   3 A   35  GLN THR PRO SER PRO PRO SER GLU LYS                          
HELIX    1   1 PHE A    4  ASN A   17  1                                  14    
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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