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Database: PDB
Entry: 2MWN
LinkDB: 2MWN
Original site: 2MWN 
HEADER    STRUCTURAL PROTEIN/SIGNALING PROTEIN    13-NOV-14   2MWN              
TITLE     TALIN-F3 / RIAM N-TERMINAL PEPTIDE COMPLEX                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: AMYLOID BETA A4 PRECURSOR PROTEIN-BINDING FAMILY B MEMBER  
COMPND   3 1-INTERACTING PROTEIN;                                               
COMPND   4 CHAIN: A;                                                            
COMPND   5 SYNONYM: APBB1-INTERACTING PROTEIN 1, PROLINE-RICH EVH1 LIGAND 1,    
COMPND   6 PREL-1, PROLINE-RICH PROTEIN 73, RAP1-GTP-INTERACTING ADAPTER        
COMPND   7 MOLECULE, RIAM, RETINOIC ACID-RESPONSIVE PROLINE-RICH PROTEIN 1,     
COMPND   8 RARP-1;                                                              
COMPND   9 ENGINEERED: YES;                                                     
COMPND  10 MOL_ID: 2;                                                           
COMPND  11 MOLECULE: TALIN-1;                                                   
COMPND  12 CHAIN: B;                                                            
COMPND  13 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;                                                
SOURCE   6 MOL_ID: 2;                                                           
SOURCE   7 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   8 ORGANISM_COMMON: HUMAN;                                              
SOURCE   9 ORGANISM_TAXID: 9606;                                                
SOURCE  10 GENE: TLN1, KIAA1027, TLN;                                           
SOURCE  11 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  12 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  13 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  14 EXPRESSION_SYSTEM_PLASMID: PET30XA/LIC                               
KEYWDS    RIAM, TALIN, INTEGRIN, STRUCTURAL PROTEIN-SIGNALING PROTEIN COMPLEX   
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    J.YANG,L.ZHU,H.ZHANG,J.HIRBAWI,K.FUKUDA,P.DWIVEDI,J.LIU,T.BYZOVA,     
AUTHOR   2 E.F.PLOW,J.WU,J.QIN                                                  
REVDAT   2   14-JAN-15 2MWN    1       JRNL                                     
REVDAT   1   17-DEC-14 2MWN    0                                                
JRNL        AUTH   J.YANG,L.ZHU,H.ZHANG,J.HIRBAWI,K.FUKUDA,P.DWIVEDI,J.LIU,     
JRNL        AUTH 2 T.BYZOVA,E.F.PLOW,J.WU,J.QIN                                 
JRNL        TITL   CONFORMATIONAL ACTIVATION OF TALIN BY RIAM TRIGGERS          
JRNL        TITL 2 INTEGRIN-MEDIATED CELL ADHESION.                             
JRNL        REF    NAT COMMUN                    V.   5  5880 2014              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   25520155                                                     
JRNL        DOI    10.1038/NCOMMS6880                                           
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 2MWN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-NOV-14.                  
REMARK 100 THE RCSB ID CODE IS RCSB104136.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6.8                                
REMARK 210  IONIC STRENGTH                 : 50                                 
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.5 MM [U-15N] TALIN-F3, 50 MM     
REMARK 210                                   SODIUM PHOSPHATE, 50 MM SODIUM     
REMARK 210                                   CHLORIDE, 2 MM SODIUM AZIDE, 1 MM  
REMARK 210                                   DSS, 95% H2O/5% D2O; 1.5 MM RIAM-  
REMARK 210                                   N PEPTIDE, 0.5 MM [U-15N; U-2H]    
REMARK 210                                   TALIN-F3, 50 MM SODIUM PHOSPHATE,  
REMARK 210                                   50 MM SODIUM CHLORIDE, 2 MM        
REMARK 210                                   SODIUM AZIDE, 1 MM DSS, 95% H2O/   
REMARK 210                                   5% D2O                             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D 1H-15N NOESY; 2D 1H-1H TOCSY    
REMARK 210                                   (N/C-FILTERED); 2D 1H-1H NOESY     
REMARK 210                                   (N/C-FILTERED)                     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 900 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE, PIPP, SPARKY, X-PLOR_     
REMARK 210                                   NIH, PROCHECK                      
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 99                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES 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 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   341     H    LYS B   345              1.46            
REMARK 500   O    GLU B   317     H    VAL B   326              1.52            
REMARK 500   O    LEU B   329     H    VAL B   340              1.52            
REMARK 500   O    GLY B   385     H    ALA B   389              1.55            
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 ASP A   9      -67.71   -174.71                                   
REMARK 500  1 MET A  11      -63.54    -14.47                                   
REMARK 500  1 GLN A  24      -74.10    -51.46                                   
REMARK 500  1 SER A  25      -36.14   -175.94                                   
REMARK 500  1 LEU A  26      -99.80    -63.05                                   
REMARK 500  1 ASP A  29       15.51     48.13                                   
REMARK 500  1 LYS B 322     -142.27   -138.56                                   
REMARK 500  1 ASN B 323      -17.88   -141.28                                   
REMARK 500  1 LYS B 334       14.55    -57.68                                   
REMARK 500  1 GLU B 335       -3.56   -144.96                                   
REMARK 500  1 GLU B 342      -27.91    -35.88                                   
REMARK 500  1 ARG B 358      136.03   -171.54                                   
REMARK 500  1 ASP B 372      -16.12    -41.41                                   
REMARK 500  1 GLN B 374      -93.06   -125.93                                   
REMARK 500  1 ILE B 398      -61.88    -91.89                                   
REMARK 500  2 ASP A   9      -43.62   -174.18                                   
REMARK 500  2 MET A  11      -64.72    -19.42                                   
REMARK 500  2 GLN A  24       17.22     42.64                                   
REMARK 500  2 SER A  25      -60.33     74.97                                   
REMARK 500  2 ASP A  29       86.71     40.96                                   
REMARK 500  2 LYS B 322     -141.63   -136.19                                   
REMARK 500  2 ASN B 323      -21.10   -142.48                                   
REMARK 500  2 LYS B 334       15.20    -57.86                                   
REMARK 500  2 GLU B 335       -4.25   -144.99                                   
REMARK 500  2 GLU B 342      -28.46    -35.37                                   
REMARK 500  2 LYS B 345       -0.67     67.38                                   
REMARK 500  2 ARG B 358      135.91   -172.05                                   
REMARK 500  2 ASP B 372      -16.43    -41.39                                   
REMARK 500  2 GLN B 374      -92.74   -125.85                                   
REMARK 500  2 ILE B 398      -61.96    -91.99                                   
REMARK 500  3 ASP A   9      -41.05   -168.48                                   
REMARK 500  3 MET A  11      -71.80    -17.91                                   
REMARK 500  3 GLN A  24      -91.62     42.27                                   
REMARK 500  3 SER A  25      -10.54   -141.36                                   
REMARK 500  3 LEU A  26      -74.63    -45.64                                   
REMARK 500  3 VAL A  28     -110.98    -95.51                                   
REMARK 500  3 LYS B 322     -140.21   -136.12                                   
REMARK 500  3 ASN B 323      -17.91   -145.83                                   
REMARK 500  3 LYS B 334       16.00    -58.15                                   
REMARK 500  3 GLU B 335       -4.76   -145.48                                   
REMARK 500  3 GLU B 342      -28.45    -35.36                                   
REMARK 500  3 LYS B 345       -0.87     67.77                                   
REMARK 500  3 ARG B 358      135.71   -172.77                                   
REMARK 500  3 ASP B 372      -16.35    -41.88                                   
REMARK 500  3 GLN B 374      -92.17   -125.32                                   
REMARK 500  3 ILE B 398      -61.95    -92.05                                   
REMARK 500  4 MET A  11      -74.12    -18.33                                   
REMARK 500  4 GLN A  24      -95.08     40.98                                   
REMARK 500  4 LEU A  26     -100.53    -68.82                                   
REMARK 500  4 VAL A  28     -112.24   -147.55                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     313 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 25343   RELATED DB: BMRB                                 
DBREF  2MWN A    7    30  UNP    Q7Z5R6   AB1IP_HUMAN      7     30             
DBREF  2MWN B  308   400  UNP    Q9Y490   TLN1_HUMAN     308    400             
SEQADV 2MWN SER B  352  UNP  Q9Y490    ASN   352 CONFLICT                       
SEQRES   1 A   24  ASP ILE ASP GLN MET PHE SER THR LEU LEU GLY GLU MET          
SEQRES   2 A   24  ASP LEU LEU THR GLN SER LEU GLY VAL ASP THR                  
SEQRES   1 B   93  TYR GLY VAL SER PHE PHE LEU VAL LYS GLU LYS MET LYS          
SEQRES   2 B   93  GLY LYS ASN LYS LEU VAL PRO ARG LEU LEU GLY ILE THR          
SEQRES   3 B   93  LYS GLU CYS VAL MET ARG VAL ASP GLU LYS THR LYS GLU          
SEQRES   4 B   93  VAL ILE GLN GLU TRP SER LEU THR ASN ILE LYS ARG TRP          
SEQRES   5 B   93  ALA ALA SER PRO LYS SER PHE THR LEU ASP PHE GLY ASP          
SEQRES   6 B   93  TYR GLN ASP GLY TYR TYR SER VAL GLN THR THR GLU GLY          
SEQRES   7 B   93  GLU GLN ILE ALA GLN LEU ILE ALA GLY TYR ILE ASP ILE          
SEQRES   8 B   93  ILE LEU                                                      
HELIX    1   1 GLN A   10  GLN A   24  1                                  15    
HELIX    2   2 GLU B  384  LEU B  400  1                                  17    
SHEET    1   A 3 SER B 311  PHE B 313  0                                        
SHEET    2   A 3 LEU B 329  THR B 333 -1  O  LEU B 330   N  PHE B 313           
SHEET    3   A 3 CYS B 336  VAL B 340 -1  O  VAL B 340   N  LEU B 329           
SHEET    1   B 2 LYS B 316  LYS B 318  0                                        
SHEET    2   B 2 LEU B 325  PRO B 327 -1  O  VAL B 326   N  GLU B 317           
SHEET    1   C 3 ARG B 358  TRP B 359  0                                        
SHEET    2   C 3 SER B 365  ASP B 369 -1  O  ASP B 369   N  ARG B 358           
SHEET    3   C 3 TYR B 377  GLN B 381 -1  O  TYR B 378   N  LEU B 368           
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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