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Database: PDB
Entry: 2DKX
LinkDB: 2DKX
Original site: 2DKX 
HEADER    SIGNALING PROTEIN                       14-APR-06   2DKX              
TITLE     SOLUTION STRUCTURE OF THE SAM_PNT-DOMAIN OF ETS                       
TITLE    2 TRANSCRIPTION FACTOR PDEF (PROSTATE ETS)                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SAM POINTED DOMAIN-CONTAINING ETS TRANSCRIPTION            
COMPND   3 FACTOR;                                                              
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: SAM_PNT DOMAIN(RESIDUES 8-90);                             
COMPND   6 SYNONYM: PROSTATE-DERIVED ETS FACTOR, PROSTATE EPITHELIUM-           
COMPND   7 SPECIFIC ETS TRANSCRIPTION FACTOR, PROSTATE-SPECIFIC ETS;            
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 GENE: SPDEF, PDEF, PSE;                                              
SOURCE   6 EXPRESSION_SYSTEM: CELL FREE SYNTHESIS;                              
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: P041108-11;                               
SOURCE   9 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
KEYWDS    CELL-FREE PROTEIN SYNTHESIS, PROTEIN REGULATION, 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    A.K.GORONCY,M.SATO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,             
AUTHOR   2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)               
REVDAT   2   24-FEB-09 2DKX    1       VERSN                                    
REVDAT   1   14-OCT-06 2DKX    0                                                
JRNL        AUTH   A.K.GORONCY,M.SATO,S.KOSHIBA,M.INOUE,T.KIGAWA,               
JRNL        AUTH 2 S.YOKOYAMA                                                   
JRNL        TITL   SOLUTION STRUCTURE OF THE SAM_PNT-DOMAIN OF ETS              
JRNL        TITL 2 TRANSCRIPTION FACTOR PDEF (PROSTATE ETS)                     
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     : P.GUNTERT ET AL.                                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2DKX COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-APR-06.                  
REMARK 100 THE RCSB ID CODE IS RCSB025537.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 296                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 120MM                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.15MM SAM_PNT DOMAIN, 20MM D      
REMARK 210                                   -TRIS-HCL, 100MM NACL, 1MM D-      
REMARK 210                                   DTT, 0.02% NAN3                    
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_15N-SEPARATED_NOESY, 3D_        
REMARK 210                                   13C-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                 : CYANA 2.0.17, XWINNMR 2.6,         
REMARK 210                                   NMRPIPE 20031121, NMRVIEW          
REMARK 210                                   5.0.4, KUJIRA 0.899A               
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  : 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 SER A   6      159.69    -44.72                                   
REMARK 500  1 TRP A  27      104.14    -51.79                                   
REMARK 500  1 TRP A  38      -73.41    -62.83                                   
REMARK 500  1 ASP A  77      -37.69    -39.98                                   
REMARK 500  1 SER A  91       36.15    -89.75                                   
REMARK 500  2 SER A   6      174.70    -50.29                                   
REMARK 500  2 TRP A  27      106.35    -53.68                                   
REMARK 500  2 LEU A  37      -18.28    -49.55                                   
REMARK 500  2 TRP A  38      -73.09    -70.33                                   
REMARK 500  2 PRO A  47       98.10    -69.73                                   
REMARK 500  2 SER A  91       37.96    -90.69                                   
REMARK 500  3 SER A   2       41.93     70.17                                   
REMARK 500  3 TRP A  27      101.80    -51.59                                   
REMARK 500  3 LEU A  36      -70.03    -82.69                                   
REMARK 500  3 TRP A  38      -73.26    -65.18                                   
REMARK 500  3 SER A  91       36.77    -88.75                                   
REMARK 500  3 SER A  95       42.54     37.49                                   
REMARK 500  4 SER A  91       32.05    -84.34                                   
REMARK 500  5 SER A   2      109.89    -45.94                                   
REMARK 500  5 TRP A  38      -73.24    -65.98                                   
REMARK 500  5 ASP A  77      -39.42    -38.69                                   
REMARK 500  6 SER A   6      179.93    -56.44                                   
REMARK 500  6 TRP A  27      104.99    -48.72                                   
REMARK 500  6 TRP A  38      -73.25    -68.35                                   
REMARK 500  6 LEU A  79      -70.76    -62.12                                   
REMARK 500  6 SER A  91       33.80    -86.44                                   
REMARK 500  7 TRP A  27      104.09    -50.25                                   
REMARK 500  7 TRP A  38      -72.67    -63.53                                   
REMARK 500  7 SER A  91       35.68    -84.29                                   
REMARK 500  8 SER A   3      152.13    -47.61                                   
REMARK 500  8 TRP A  27      104.13    -51.95                                   
REMARK 500  8 LEU A  36      -71.91    -78.28                                   
REMARK 500  8 TRP A  38      -73.36    -61.16                                   
REMARK 500  8 PRO A  47       98.36    -69.73                                   
REMARK 500  8 SER A  91       40.93   -104.62                                   
REMARK 500  9 SER A   6      172.66    -53.68                                   
REMARK 500  9 TRP A  27       98.90    -48.54                                   
REMARK 500  9 LEU A  36      -70.87    -73.85                                   
REMARK 500  9 TRP A  38      -73.33    -64.33                                   
REMARK 500  9 PRO A  47       97.14    -69.77                                   
REMARK 500  9 LEU A  79      -70.07    -62.36                                   
REMARK 500  9 SER A  91       40.80   -101.16                                   
REMARK 500 10 TRP A  27      105.52    -50.65                                   
REMARK 500 10 TRP A  38      -73.37    -63.93                                   
REMARK 500 10 PRO A  47       99.69    -69.71                                   
REMARK 500 10 SER A  91       38.26    -89.05                                   
REMARK 500 11 TRP A  27      105.65    -56.19                                   
REMARK 500 11 LEU A  36      -70.59    -82.82                                   
REMARK 500 11 TRP A  38      -73.27    -63.39                                   
REMARK 500 11 PRO A  47       99.98    -69.80                                   
REMARK 500 11 SER A  91       38.09    -90.42                                   
REMARK 500 12 TRP A  27      107.92    -54.62                                   
REMARK 500 12 TRP A  38      -73.31    -68.33                                   
REMARK 500 12 PRO A  47       96.94    -69.76                                   
REMARK 500 12 SER A  91       33.02    -87.19                                   
REMARK 500 13 TRP A  27      108.23    -52.50                                   
REMARK 500 13 TRP A  38      -73.33    -63.36                                   
REMARK 500 13 PRO A  47       97.59    -69.85                                   
REMARK 500 13 SER A  91       36.81    -88.07                                   
REMARK 500 14 SER A   5      169.75    -45.31                                   
REMARK 500 14 SER A   6       77.76   -112.00                                   
REMARK 500 14 TRP A  27       90.52    -53.08                                   
REMARK 500 14 LEU A  36      -72.09    -68.98                                   
REMARK 500 14 TRP A  38      -73.10    -56.56                                   
REMARK 500 14 PRO A  47       99.13    -69.77                                   
REMARK 500 14 SER A  91       38.36    -90.07                                   
REMARK 500 15 TRP A  27       97.55    -50.21                                   
REMARK 500 15 TRP A  38      -73.68    -70.83                                   
REMARK 500 15 PRO A  47       95.93    -69.75                                   
REMARK 500 15 SER A  91       39.43    -88.50                                   
REMARK 500 15 SER A  94       44.16   -108.94                                   
REMARK 500 16 TRP A  27      106.35    -55.95                                   
REMARK 500 16 TRP A  38      -72.50    -67.16                                   
REMARK 500 16 PRO A  47       99.50    -69.73                                   
REMARK 500 17 SER A   2      -43.25   -131.92                                   
REMARK 500 17 PRO A  47       98.31    -69.81                                   
REMARK 500 17 SER A  91       33.85    -84.21                                   
REMARK 500 18 TRP A  27      109.05    -54.16                                   
REMARK 500 18 LEU A  36      -72.86    -76.00                                   
REMARK 500 18 TRP A  38      -73.18    -55.23                                   
REMARK 500 18 PRO A  47       97.51    -69.73                                   
REMARK 500 18 SER A  91       36.21    -83.91                                   
REMARK 500 19 SER A   3      -62.64    -90.96                                   
REMARK 500 19 TRP A  27      104.35    -49.31                                   
REMARK 500 19 LEU A  37      -19.52    -49.54                                   
REMARK 500 19 TRP A  38      -72.91    -67.49                                   
REMARK 500 19 PRO A  47       97.61    -69.74                                   
REMARK 500 19 SER A  91       39.08    -99.68                                   
REMARK 500 19 SER A  95       42.20   -103.41                                   
REMARK 500 20 TRP A  27      109.65    -50.35                                   
REMARK 500 20 TRP A  38      -70.18    -70.97                                   
REMARK 500 20 PRO A  47       98.46    -69.72                                   
REMARK 500 20 SER A  91       31.86    -96.21                                   
REMARK 500 20 SER A  94      155.29    -39.74                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: HSI002012673.1   RELATED DB: TARGETDB                    
DBREF  2DKX A    8    90  UNP    O95238   SPDEF_HUMAN    131    213             
SEQADV 2DKX GLY A    1  UNP  O95238              CLONING ARTIFACT               
SEQADV 2DKX SER A    2  UNP  O95238              CLONING ARTIFACT               
SEQADV 2DKX SER A    3  UNP  O95238              CLONING ARTIFACT               
SEQADV 2DKX GLY A    4  UNP  O95238              CLONING ARTIFACT               
SEQADV 2DKX SER A    5  UNP  O95238              CLONING ARTIFACT               
SEQADV 2DKX SER A    6  UNP  O95238              CLONING ARTIFACT               
SEQADV 2DKX GLY A    7  UNP  O95238              CLONING ARTIFACT               
SEQADV 2DKX SER A   91  UNP  O95238              CLONING ARTIFACT               
SEQADV 2DKX GLY A   92  UNP  O95238              CLONING ARTIFACT               
SEQADV 2DKX PRO A   93  UNP  O95238              CLONING ARTIFACT               
SEQADV 2DKX SER A   94  UNP  O95238              CLONING ARTIFACT               
SEQADV 2DKX SER A   95  UNP  O95238              CLONING ARTIFACT               
SEQADV 2DKX GLY A   96  UNP  O95238              CLONING ARTIFACT               
SEQRES   1 A   96  GLY SER SER GLY SER SER GLY LEU LYS ASP ILE GLU THR          
SEQRES   2 A   96  ALA CYS LYS LEU LEU ASN ILE THR ALA ASP PRO MET ASP          
SEQRES   3 A   96  TRP SER PRO SER ASN VAL GLN LYS TRP LEU LEU TRP THR          
SEQRES   4 A   96  GLU HIS GLN TYR ARG LEU PRO PRO MET GLY LYS ALA PHE          
SEQRES   5 A   96  GLN GLU LEU ALA GLY LYS GLU LEU CYS ALA MET SER GLU          
SEQRES   6 A   96  GLU GLN PHE ARG GLN ARG SER PRO LEU GLY GLY ASP VAL          
SEQRES   7 A   96  LEU HIS ALA HIS LEU ASP ILE TRP LYS SER ALA ALA SER          
SEQRES   8 A   96  GLY PRO SER SER GLY                                          
HELIX    1   1 LEU A    8  LEU A   17  1                                  10    
HELIX    2   2 ASP A   23  TRP A   27  5                                   5    
HELIX    3   3 ASN A   31  TYR A   43  1                                  13    
HELIX    4   4 MET A   48  GLN A   53  1                                   6    
HELIX    5   5 ALA A   56  MET A   63  1                                   8    
HELIX    6   6 SER A   64  SER A   72  1                                   9    
HELIX    7   7 GLY A   76  SER A   91  1                                  16    
CISPEP   1 SER A   28    PRO A   29          1        -0.12                     
CISPEP   2 SER A   28    PRO A   29          2        -0.10                     
CISPEP   3 SER A   28    PRO A   29          3        -0.15                     
CISPEP   4 SER A   28    PRO A   29          4        -0.08                     
CISPEP   5 SER A   28    PRO A   29          5        -0.05                     
CISPEP   6 SER A   28    PRO A   29          6        -0.12                     
CISPEP   7 SER A   28    PRO A   29          7        -0.09                     
CISPEP   8 SER A   28    PRO A   29          8        -0.14                     
CISPEP   9 SER A   28    PRO A   29          9        -0.04                     
CISPEP  10 SER A   28    PRO A   29         10        -0.11                     
CISPEP  11 SER A   28    PRO A   29         11         0.03                     
CISPEP  12 SER A   28    PRO A   29         12        -0.01                     
CISPEP  13 SER A   28    PRO A   29         13        -0.17                     
CISPEP  14 SER A   28    PRO A   29         14        -0.12                     
CISPEP  15 SER A   28    PRO A   29         15        -0.08                     
CISPEP  16 SER A   28    PRO A   29         16        -0.08                     
CISPEP  17 SER A   28    PRO A   29         17        -0.09                     
CISPEP  18 SER A   28    PRO A   29         18        -0.09                     
CISPEP  19 SER A   28    PRO A   29         19        -0.10                     
CISPEP  20 SER A   28    PRO A   29         20        -0.04                     
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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