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Database: PDB
Entry: 1X6C
LinkDB: 1X6C
Original site: 1X6C 
HEADER    SIGNALING PROTEIN                       17-MAY-05   1X6C              
TITLE     SOLUTION STRUCTURES OF THE SH2 DOMAIN OF HUMAN PROTEIN-               
TITLE    2 TYROSINE PHOSPHATASE SHP-1                                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TYROSINE-PROTEIN PHOSPHATASE, NON-RECEPTOR TYPE            
COMPND   3 6;                                                                   
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: SH2 DOMAIN;                                                
COMPND   6 SYNONYM: PROTEIN-TYROSINE PHOSPHATASE 1C, PTP-1C,                    
COMPND   7 HEMATOPOIETIC CELL PROTEIN-TYROSINE PHOSPHATASE, SH-PTP1,            
COMPND   8 PROTEIN-TYROSINE PHOSPHATASE SHP-1;                                  
COMPND   9 EC: 3.1.3.48;                                                        
COMPND  10 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: PTPN6;                                                         
SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P040607-04;                               
SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
KEYWDS    SH2 DOMAIN, HCP, PTP1C, STRUCTURAL GENOMICS, NPPSFA,                  
KEYWDS   2 NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL                
KEYWDS   3 ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE,           
KEYWDS   4 RSGI, SIGNALING PROTEIN                                              
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    M.SATO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN                    
AUTHOR   2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)                     
REVDAT   2   24-FEB-09 1X6C    1       VERSN                                    
REVDAT   1   17-NOV-05 1X6C    0                                                
JRNL        AUTH   M.SATO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA                 
JRNL        TITL   SOLUTION STRUCTURES OF THE SH2 DOMAIN OF HUMAN               
JRNL        TITL 2 PROTEIN-TYROSINE PHOSPHATASE SHP-1                           
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 1.0.7                                          
REMARK   3   AUTHORS     : GUNTERT, P.                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1X6C COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 23-MAY-05.                  
REMARK 100 THE RCSB ID CODE IS RCSB024434.                                      
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                : 1MM SH2 DOMAIN U-15N, 13C;         
REMARK 210                                   20MM D-TRIS HCL; 100MM NACL;       
REMARK 210                                   1MM D-DTT; 0.02% NAN3; 10% D2O     
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_13C-SEPARATED_NOESY, 3D_        
REMARK 210                                   15N-SEPARATED_NOESY                
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR 2.6, NMRPIPE               
REMARK 210                                   20031121, NMRVIEW 5.0.4,           
REMARK 210                                   KUJIRA 0.9295, CYANA 1.0.7         
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 LEAST RESTRAINT           
REMARK 210                                   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 SER A   5       87.65   -158.32                                   
REMARK 500  1 SER A   6       91.47     46.30                                   
REMARK 500  1 TYR A   9      106.23    -54.92                                   
REMARK 500  1 TRP A  29       52.16     74.80                                   
REMARK 500  1 ARG A  61      167.25    -45.01                                   
REMARK 500  1 SER A 113      167.65     58.55                                   
REMARK 500  2 SER A   2      -60.12   -129.94                                   
REMARK 500  2 SER A   5       86.99     40.14                                   
REMARK 500  2 SER A   6      -61.32     71.50                                   
REMARK 500  2 TYR A   9      101.77    -51.07                                   
REMARK 500  2 GLU A  27      114.22    -38.42                                   
REMARK 500  2 TRP A  29       52.92     74.10                                   
REMARK 500  2 TYR A 112      -83.53     56.95                                   
REMARK 500  2 SER A 113      140.72     74.59                                   
REMARK 500  2 SER A 116      158.19     63.64                                   
REMARK 500  3 SER A   5      125.62   -173.21                                   
REMARK 500  3 SER A   6       70.51   -113.34                                   
REMARK 500  3 TYR A   9      103.26    -54.93                                   
REMARK 500  3 HIS A  12       91.95    -69.28                                   
REMARK 500  3 TRP A  29       42.09     74.04                                   
REMARK 500  3 ARG A  61      150.54    -40.87                                   
REMARK 500  3 LYS A  94      -62.93   -120.98                                   
REMARK 500  4 SER A   2      -62.07   -156.11                                   
REMARK 500  4 SER A   3      103.83     65.14                                   
REMARK 500  4 TYR A   9      101.45    -51.24                                   
REMARK 500  4 GLU A  27      114.94    -38.49                                   
REMARK 500  4 TRP A  29       46.89     73.70                                   
REMARK 500  4 ARG A  61      160.40    -45.20                                   
REMARK 500  4 LYS A  94      -62.75   -122.01                                   
REMARK 500  4 SER A 113      -70.74     69.99                                   
REMARK 500  4 SER A 116      156.21    -45.14                                   
REMARK 500  5 SER A   2      119.69   -170.95                                   
REMARK 500  5 SER A   3      -55.86   -157.83                                   
REMARK 500  5 SER A   6     -175.10    -69.67                                   
REMARK 500  5 TYR A   9       99.27    -57.14                                   
REMARK 500  5 TRP A  29       45.50     76.30                                   
REMARK 500  5 ARG A  61      168.56    -46.61                                   
REMARK 500  5 LYS A  94      -63.17   -121.50                                   
REMARK 500  5 SER A 113      165.20     60.62                                   
REMARK 500  6 SER A   6       83.67     53.35                                   
REMARK 500  6 TYR A   9      102.64    -57.06                                   
REMARK 500  6 GLU A  27      113.80    -38.35                                   
REMARK 500  6 TRP A  29       51.69     74.16                                   
REMARK 500  6 ARG A  61      157.34    -47.28                                   
REMARK 500  6 LYS A  94      -63.91   -120.37                                   
REMARK 500  6 SER A 113      -46.09   -133.61                                   
REMARK 500  6 SER A 116       82.20     46.19                                   
REMARK 500  7 SER A   6     -171.45     51.08                                   
REMARK 500  7 TYR A   9      103.78    -59.10                                   
REMARK 500  7 TRP A  29       47.19     74.69                                   
REMARK 500  7 ARG A  61      165.46    -44.90                                   
REMARK 500  7 SER A 116      -64.71   -102.57                                   
REMARK 500  8 SER A   5      117.58   -167.27                                   
REMARK 500  8 TRP A   8      -43.30   -168.13                                   
REMARK 500  8 TYR A   9      101.55    -51.17                                   
REMARK 500  8 TRP A  29       54.02     79.16                                   
REMARK 500  8 ARG A  61      160.69    -46.29                                   
REMARK 500  8 SER A 116      -56.16   -120.76                                   
REMARK 500  8 SER A 117      113.09     67.54                                   
REMARK 500  9 SER A   2       95.63     66.76                                   
REMARK 500  9 SER A   5      -57.53   -175.71                                   
REMARK 500  9 TRP A  29       44.15     72.43                                   
REMARK 500  9 ARG A  61      160.49    -44.30                                   
REMARK 500 10 SER A   2       92.91   -170.14                                   
REMARK 500 10 SER A   3      113.62   -164.02                                   
REMARK 500 10 SER A   6     -165.08     53.82                                   
REMARK 500 10 TRP A  29       40.78     73.40                                   
REMARK 500 10 ARG A  61      161.84    -41.52                                   
REMARK 500 10 SER A 116      151.00     69.03                                   
REMARK 500 11 SER A   6      175.42     55.48                                   
REMARK 500 11 TRP A   8      -40.41   -177.12                                   
REMARK 500 11 TYR A   9      102.05    -51.80                                   
REMARK 500 11 TRP A  29       54.51     83.82                                   
REMARK 500 11 ARG A  61      157.86    -46.01                                   
REMARK 500 12 SER A   2      106.06   -176.41                                   
REMARK 500 12 SER A   3       85.18     72.67                                   
REMARK 500 12 SER A   5       66.67   -114.66                                   
REMARK 500 12 SER A   6      177.70    175.66                                   
REMARK 500 12 TRP A  29       42.12     74.01                                   
REMARK 500 12 ARG A  61      150.28    -44.63                                   
REMARK 500 12 TYR A 112      102.36     49.77                                   
REMARK 500 12 SER A 116      124.72     63.09                                   
REMARK 500 12 SER A 117      -57.85   -178.32                                   
REMARK 500 13 SER A   2      -69.71     67.68                                   
REMARK 500 13 SER A   6     -174.28    175.86                                   
REMARK 500 13 TYR A   9      101.72    -55.08                                   
REMARK 500 13 TRP A  29       48.57     79.73                                   
REMARK 500 13 ARG A  61      165.73    -45.85                                   
REMARK 500 13 SER A 117      145.67    178.48                                   
REMARK 500 14 SER A   5      -62.03   -177.50                                   
REMARK 500 14 TYR A   9      106.66    -56.44                                   
REMARK 500 14 TRP A  29       39.76     74.94                                   
REMARK 500 14 ARG A  61      154.04    -45.93                                   
REMARK 500 14 SER A 117      136.78   -177.71                                   
REMARK 500 15 SER A   5      128.41    179.47                                   
REMARK 500 15 SER A   6     -174.23    -55.32                                   
REMARK 500 15 TYR A   9       99.10    -60.59                                   
REMARK 500 15 TRP A  29       41.23     71.63                                   
REMARK 500 15 ARG A  61      166.93    -44.27                                   
REMARK 500 16 SER A   5      -62.08   -171.94                                   
REMARK 500 16 TYR A   9      106.10    -51.36                                   
REMARK 500 16 GLU A  27      113.69    -38.01                                   
REMARK 500 16 TRP A  29       47.79     74.41                                   
REMARK 500 16 ARG A  61      160.61    -45.20                                   
REMARK 500 16 SER A 113       99.63     65.66                                   
REMARK 500 16 SER A 117      115.64   -169.15                                   
REMARK 500 17 SER A   3       73.96   -154.37                                   
REMARK 500 17 SER A   6     -172.82     55.88                                   
REMARK 500 17 TRP A  29       46.44     75.09                                   
REMARK 500 17 ARG A  61      155.70    -43.13                                   
REMARK 500 17 LYS A  94      -60.82   -122.84                                   
REMARK 500 17 SER A 117      145.67   -171.39                                   
REMARK 500 18 SER A   3      -61.19   -100.01                                   
REMARK 500 18 SER A   5       90.07   -163.50                                   
REMARK 500 18 GLU A  27      115.67    -38.05                                   
REMARK 500 18 TRP A  29       50.03     72.84                                   
REMARK 500 18 ARG A  61      160.40    -44.08                                   
REMARK 500 18 TYR A 112       89.60     37.28                                   
REMARK 500 18 SER A 117       88.53     40.68                                   
REMARK 500 19 SER A   3      113.68   -160.07                                   
REMARK 500 19 SER A   6       85.06     46.78                                   
REMARK 500 19 TRP A   8      -46.45   -149.51                                   
REMARK 500 19 TYR A   9      102.76    -49.94                                   
REMARK 500 19 GLU A  27      112.42    -38.42                                   
REMARK 500 19 TRP A  29       56.82     79.37                                   
REMARK 500 19 ARG A  61      164.27    -45.52                                   
REMARK 500 19 LYS A  94      -62.67   -121.35                                   
REMARK 500 19 SER A 113      155.93     60.03                                   
REMARK 500 19 SER A 116      135.36     61.97                                   
REMARK 500 20 SER A   3       98.22     55.95                                   
REMARK 500 20 TRP A   8      -47.21   -143.88                                   
REMARK 500 20 TYR A   9      101.62    -50.68                                   
REMARK 500 20 GLU A  27      115.85    -38.33                                   
REMARK 500 20 TRP A  29       50.19     74.84                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: HSS001003119.1   RELATED DB: TARGETDB                    
DBREF  1X6C A    8   112  UNP    P29350   PTN6_HUMAN     110    214             
SEQADV 1X6C GLY A    1  UNP  P29350              CLONING ARTIFACT               
SEQADV 1X6C SER A    2  UNP  P29350              CLONING ARTIFACT               
SEQADV 1X6C SER A    3  UNP  P29350              CLONING ARTIFACT               
SEQADV 1X6C GLY A    4  UNP  P29350              CLONING ARTIFACT               
SEQADV 1X6C SER A    5  UNP  P29350              CLONING ARTIFACT               
SEQADV 1X6C SER A    6  UNP  P29350              CLONING ARTIFACT               
SEQADV 1X6C GLY A    7  UNP  P29350              CLONING ARTIFACT               
SEQADV 1X6C SER A  113  UNP  P29350              CLONING ARTIFACT               
SEQADV 1X6C GLY A  114  UNP  P29350              CLONING ARTIFACT               
SEQADV 1X6C PRO A  115  UNP  P29350              CLONING ARTIFACT               
SEQADV 1X6C SER A  116  UNP  P29350              CLONING ARTIFACT               
SEQADV 1X6C SER A  117  UNP  P29350              CLONING ARTIFACT               
SEQADV 1X6C GLY A  118  UNP  P29350              CLONING ARTIFACT               
SEQRES   1 A  118  GLY SER SER GLY SER SER GLY TRP TYR HIS GLY HIS MET          
SEQRES   2 A  118  SER GLY GLY GLN ALA GLU THR LEU LEU GLN ALA LYS GLY          
SEQRES   3 A  118  GLU PRO TRP THR PHE LEU VAL ARG GLU SER LEU SER GLN          
SEQRES   4 A  118  PRO GLY ASP PHE VAL LEU SER VAL LEU SER ASP GLN PRO          
SEQRES   5 A  118  LYS ALA GLY PRO GLY SER PRO LEU ARG VAL THR HIS ILE          
SEQRES   6 A  118  LYS VAL MET CYS GLU GLY GLY ARG TYR THR VAL GLY GLY          
SEQRES   7 A  118  LEU GLU THR PHE ASP SER LEU THR ASP LEU VAL GLU HIS          
SEQRES   8 A  118  PHE LYS LYS THR GLY ILE GLU GLU ALA SER GLY ALA PHE          
SEQRES   9 A  118  VAL TYR LEU ARG GLN PRO TYR TYR SER GLY PRO SER SER          
SEQRES  10 A  118  GLY                                                          
HELIX    1   1 SER A   14  GLY A   26  1                                  13    
HELIX    2   2 SER A   84  GLY A   96  1                                  13    
SHEET    1   A 5 ARG A  73  THR A  75  0                                        
SHEET    2   A 5 LEU A  60  GLU A  70 -1  N  MET A  68   O  THR A  75           
SHEET    3   A 5 PHE A  43  PRO A  52 -1  N  LEU A  45   O  ILE A  65           
SHEET    4   A 5 THR A  30  GLU A  35 -1  N  THR A  30   O  LEU A  48           
SHEET    5   A 5 GLN A 109  PRO A 110  1  O  GLN A 109   N  PHE A  31           
SHEET    1   B 2 ILE A  97  GLU A  98  0                                        
SHEET    2   B 2 PHE A 104  VAL A 105 -1  O  VAL A 105   N  ILE A  97           
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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