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Database: PDB
Entry: 2DM1
LinkDB: 2DM1
Original site: 2DM1 
HEADER    SIGNALING PROTEIN                       20-APR-06   2DM1              
TITLE     SOLUTION STRUCTURE OF THE SECOND SH3 DOMAIN OF HUMAN                  
TITLE    2 PROTEIN VAV-2                                                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN VAV-2;                                             
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: SH3 DOMAIN;                                                
COMPND   5 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: VAV2;                                                          
SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P050620-03;                               
SOURCE   8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS                           
KEYWDS    RHO FAMILY GUANINE NUCLEOTIDE EXCHANGE FACTOR, STRUCTURAL             
KEYWDS   2 GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL             
KEYWDS   3 AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL                            
KEYWDS   4 GENOMICS/PROTEOMICS INITIATIVE, RSGI, SIGNALING PROTEIN              
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    H.ENDO,F.HAYASHI,M.YOSHIDA,S.YOKOYAMA,RIKEN STRUCTURAL                
AUTHOR   2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)                                
REVDAT   2   24-FEB-09 2DM1    1       VERSN                                    
REVDAT   1   03-APR-07 2DM1    0                                                
JRNL        AUTH   H.ENDO,F.HAYASHI,M.YOSHIDA,S.YOKOYAMA                        
JRNL        TITL   SOLUTION STRUCTURE OF THE SECOND SH3 DOMAIN OF               
JRNL        TITL 2 HUMAN PROTEIN VAV-2                                          
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 2.0.17                                         
REMARK   3   AUTHORS     : GUNTERT, P.                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2DM1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-APR-06.                  
REMARK 100 THE RCSB ID CODE IS RCSB025572.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 120MM                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.07MM 13C,15N-LABELED             
REMARK 210                                   PROTEIN; 20MM D-TRIS-              
REMARK 210                                   HCL(PH7.0); 100MM NACL; 1MM D-     
REMARK 210                                   DTT; 0.02% NAN3; 90% H2O; 10%      
REMARK 210                                   D2O                                
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_15N-SEPARATED_NOESY, 3D_        
REMARK 210                                   13C-SEPARATED_NOESY                
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                 : XWINNMR 3.5, NMRPIPE               
REMARK 210                                   20031121, NMRVIEW 5.0.4,           
REMARK 210                                   KUJIRA 0.955, CYANA 2.0.17         
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION, STRUCTURES        
REMARK 210                                   WITH THE LOWEST ENERGY,            
REMARK 210                                   STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS               
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 GLU A  28      106.27    -47.97                                   
REMARK 500  1 GLU A  63      107.98    -58.60                                   
REMARK 500  1 PRO A  70       84.98    -69.73                                   
REMARK 500  2 ALA A  18      105.06    -55.97                                   
REMARK 500  2 GLU A  28      103.79    -39.79                                   
REMARK 500  2 ASN A  50       28.10     48.13                                   
REMARK 500  2 SER A  68      -60.25   -101.39                                   
REMARK 500  2 PRO A  70       94.45    -69.74                                   
REMARK 500  3 GLU A  28      102.42    -49.83                                   
REMARK 500  3 ASP A  41      153.44    -44.42                                   
REMARK 500  3 GLN A  42      104.01    -51.88                                   
REMARK 500  4 SER A   3       41.95   -105.77                                   
REMARK 500  4 ALA A  12      107.24    -59.34                                   
REMARK 500  4 GLU A  28      104.46    -38.70                                   
REMARK 500  4 ASP A  41      149.73    -38.15                                   
REMARK 500  4 GLN A  42       45.75    -85.24                                   
REMARK 500  4 ILE A  66      154.34    -36.56                                   
REMARK 500  4 PRO A  70        2.77    -69.73                                   
REMARK 500  5 GLU A  28      103.77    -47.22                                   
REMARK 500  5 ASP A  30      108.53    -51.55                                   
REMARK 500  5 ASP A  41       46.26    -79.16                                   
REMARK 500  5 GLN A  42       32.43     36.08                                   
REMARK 500  6 ALA A  18      108.39    -54.94                                   
REMARK 500  6 GLU A  23     -177.24    -54.60                                   
REMARK 500  6 GLU A  28      105.63    -43.65                                   
REMARK 500  6 ILE A  66      158.02    -48.56                                   
REMARK 500  7 ALA A  18       98.13    -57.54                                   
REMARK 500  7 GLU A  28      107.38    -42.12                                   
REMARK 500  7 TRP A  44      157.02    -47.04                                   
REMARK 500  7 SER A  72       41.29     36.31                                   
REMARK 500  8 ALA A  12      103.12    -58.57                                   
REMARK 500  8 ALA A  18      108.10    -50.20                                   
REMARK 500  8 GLU A  48      130.47   -174.37                                   
REMARK 500  8 GLU A  63       88.88    -68.10                                   
REMARK 500  8 ILE A  66      152.24    -45.13                                   
REMARK 500  9 SER A   2      102.36    -45.70                                   
REMARK 500  9 SER A   3       42.43    -83.41                                   
REMARK 500  9 ALA A  18      102.58    -54.78                                   
REMARK 500  9 GLU A  28      106.28    -46.54                                   
REMARK 500  9 ILE A  34      101.06    -59.24                                   
REMARK 500  9 ILE A  66      -32.60    -34.84                                   
REMARK 500  9 PRO A  70     -176.77    -69.73                                   
REMARK 500 10 SER A   3      163.92    -49.91                                   
REMARK 500 10 GLU A  28      103.57    -40.85                                   
REMARK 500 10 ILE A  34      107.96    -54.98                                   
REMARK 500 10 ASP A  41      173.34    -55.20                                   
REMARK 500 10 GLU A  64      162.00    -44.31                                   
REMARK 500 11 SER A   3      105.98    -54.78                                   
REMARK 500 11 SER A   6      171.60    -49.13                                   
REMARK 500 11 ALA A  18       97.62    -57.25                                   
REMARK 500 11 GLU A  28      102.20    -46.38                                   
REMARK 500 11 GLU A  48      140.51   -173.25                                   
REMARK 500 11 TYR A  60       33.58    -93.98                                   
REMARK 500 11 ILE A  66      156.78    -40.95                                   
REMARK 500 12 ALA A  18       97.70    -37.68                                   
REMARK 500 12 GLU A  28      111.73    -39.20                                   
REMARK 500 12 GLU A  64      170.88    -46.18                                   
REMARK 500 12 SER A  72      101.43    -58.26                                   
REMARK 500 13 SER A   2       45.06     35.07                                   
REMARK 500 13 GLU A  23      174.50    -55.71                                   
REMARK 500 13 ILE A  34      102.92    -58.97                                   
REMARK 500 13 GLU A  48      144.07   -172.17                                   
REMARK 500 13 THR A  49      135.84   -172.26                                   
REMARK 500 13 SER A  68       97.94    -63.60                                   
REMARK 500 13 PRO A  70     -177.62    -69.75                                   
REMARK 500 13 SER A  72      108.05    -42.46                                   
REMARK 500 14 GLU A  28      104.00    -43.69                                   
REMARK 500 14 ILE A  66       28.26     38.83                                   
REMARK 500 14 SER A  72      163.41    -43.82                                   
REMARK 500 15 SER A   2      139.92    -36.97                                   
REMARK 500 15 GLU A  28       87.32    -53.99                                   
REMARK 500 15 ILE A  34      101.87    -59.49                                   
REMARK 500 15 GLN A  42       45.67     34.75                                   
REMARK 500 15 GLU A  63       82.22    -60.96                                   
REMARK 500 15 SER A  71       96.33    -51.30                                   
REMARK 500 16 SER A   2      158.84    -40.87                                   
REMARK 500 16 SER A   6      146.40   -173.95                                   
REMARK 500 16 ALA A  12      102.88    -57.74                                   
REMARK 500 16 GLU A  28      113.61    -39.77                                   
REMARK 500 16 ILE A  34       98.86    -59.59                                   
REMARK 500 16 GLN A  42       99.55    -66.02                                   
REMARK 500 16 GLU A  48      143.47   -172.14                                   
REMARK 500 16 ASN A  50       38.21     70.56                                   
REMARK 500 16 PRO A  57     -176.13    -69.80                                   
REMARK 500 17 GLN A  42       34.49    -86.03                                   
REMARK 500 17 ILE A  66       26.85     47.72                                   
REMARK 500 17 SER A  72      -62.37    -95.34                                   
REMARK 500 18 ALA A  18      108.17    -34.55                                   
REMARK 500 18 GLU A  23     -176.37    -55.64                                   
REMARK 500 18 GLU A  28      108.32    -51.32                                   
REMARK 500 18 ASP A  30      109.86    -55.93                                   
REMARK 500 18 ILE A  34      100.50    -56.36                                   
REMARK 500 18 ILE A  66      172.21    -59.56                                   
REMARK 500 19 GLU A  28      105.03    -46.45                                   
REMARK 500 20 GLU A  48      141.88   -170.46                                   
REMARK 500 20 GLU A  63       98.99    -69.44                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2DM1 A    8    67  UNP    P52735   VAV2_HUMAN     819    878             
SEQADV 2DM1 GLY A    1  UNP  P52735              CLONING ARTIFACT               
SEQADV 2DM1 SER A    2  UNP  P52735              CLONING ARTIFACT               
SEQADV 2DM1 SER A    3  UNP  P52735              CLONING ARTIFACT               
SEQADV 2DM1 GLY A    4  UNP  P52735              CLONING ARTIFACT               
SEQADV 2DM1 SER A    5  UNP  P52735              CLONING ARTIFACT               
SEQADV 2DM1 SER A    6  UNP  P52735              CLONING ARTIFACT               
SEQADV 2DM1 GLY A    7  UNP  P52735              CLONING ARTIFACT               
SEQADV 2DM1 SER A   68  UNP  P52735              CLONING ARTIFACT               
SEQADV 2DM1 GLY A   69  UNP  P52735              CLONING ARTIFACT               
SEQADV 2DM1 PRO A   70  UNP  P52735              CLONING ARTIFACT               
SEQADV 2DM1 SER A   71  UNP  P52735              CLONING ARTIFACT               
SEQADV 2DM1 SER A   72  UNP  P52735              CLONING ARTIFACT               
SEQADV 2DM1 GLY A   73  UNP  P52735              CLONING ARTIFACT               
SEQRES   1 A   73  GLY SER SER GLY SER SER GLY GLY THR ALA VAL ALA ARG          
SEQRES   2 A   73  TYR ASN PHE ALA ALA ARG ASP MET ARG GLU LEU SER LEU          
SEQRES   3 A   73  ARG GLU GLY ASP VAL VAL ARG ILE TYR SER ARG ILE GLY          
SEQRES   4 A   73  GLY ASP GLN GLY TRP TRP LYS GLY GLU THR ASN GLY ARG          
SEQRES   5 A   73  ILE GLY TRP PHE PRO SER THR TYR VAL GLU GLU GLU GLY          
SEQRES   6 A   73  ILE GLN SER GLY PRO SER SER GLY                              
SHEET    1   A 3 VAL A  31  ARG A  33  0                                        
SHEET    2   A 3 THR A   9  ALA A  12 -1  N  ALA A  10   O  VAL A  32           
SHEET    3   A 3 VAL A  61  GLU A  63 -1  O  GLU A  62   N  VAL A  11           
SHEET    1   B 2 TRP A  45  THR A  49  0                                        
SHEET    2   B 2 ARG A  52  PHE A  56 -1  O  PHE A  56   N  TRP A  45           
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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