GenomeNet

Database: PDB
Entry: 2DA6
LinkDB: 2DA6
Original site: 2DA6 
HEADER    DNA BINDING PROTEIN                     13-DEC-05   2DA6              
TITLE     SOLUTION STRUCTURE OF THE HOMEOBOX DOMAIN OF HEPATOCYTE               
TITLE    2 NUCLEAR FACTOR 1-BETA (HNF-1BETA)                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HEPATOCYTE NUCLEAR FACTOR 1-BETA;                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: HOMEOBOX DOMAIN;                                           
COMPND   5 SYNONYM: HNF-1BETA, HNF-1B, VARIANT HEPATIC NUCLEAR FACTOR           
COMPND   6 1, VHNF1, HOMEOPROTEIN LFB3, TRANSCRIPTION FACTOR 2, TCF-2;          
COMPND   7 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: HNF1B;                                                         
SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P050404-17;                               
SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
KEYWDS    HOMEOBOX DOMAIN, THREE HELICES WITH THE DNA BINDING HELIX-            
KEYWDS   2 TURN-HELIX MOTIF, STRUCTURAL GENOMICS, NPPSFA, NATIONAL              
KEYWDS   3 PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES,               
KEYWDS   4 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, DNA           
KEYWDS   5 BINDING PROTEIN                                                      
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    S.OHNISHI,T.KIGAWA,M.SATO,S.KOSHIBA,M.INOUE,S.YOKOYAMA,               
AUTHOR   2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)               
REVDAT   2   24-FEB-09 2DA6    1       VERSN                                    
REVDAT   1   26-DEC-06 2DA6    0                                                
JRNL        AUTH   S.OHNISHI,T.KIGAWA,M.SATO,S.KOSHIBA,M.INOUE,                 
JRNL        AUTH 2 S.YOKOYAMA                                                   
JRNL        TITL   SOLUTION STRUCTURE OF THE HOMEOBOX DOMAIN OF                 
JRNL        TITL 2 HEPATOCYTE NUCLEAR FACTOR 1-BETA (HNF-1BETA)                 
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 2DA6 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-DEC-05.                  
REMARK 100 THE RCSB ID CODE IS RCSB025177.                                      
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                : 1.2MM PROTEIN U-15N,13C; 20MM      
REMARK 210                                   D-TRIS-HCL (PH7.0); 100MM          
REMARK 210                                   NACL; 1MM D-DTT; 0.02% NAN3;       
REMARK 210                                   90% H2O, 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 3.5, NMRPIPE               
REMARK 210                                   20030801, NMRVIEW 5.0.4,           
REMARK 210                                   KUJIRA 0.932, CYANA 2.0.17         
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS,            
REMARK 210                                   RESTRAINED MOLECULAR 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 ALA A  38      -19.91    -47.30                                   
REMARK 500  1 VAL A  53      172.17    -56.61                                   
REMARK 500  1 LEU A  61      -36.34    -34.47                                   
REMARK 500  1 SER A  95       44.74    -86.27                                   
REMARK 500  1 ASN A  96      148.61   -174.72                                   
REMARK 500  1 SER A 101      144.69   -174.02                                   
REMARK 500  2 PHE A  11      107.09   -172.24                                   
REMARK 500  2 VAL A  53      173.97    -60.00                                   
REMARK 500  2 LEU A  61      -35.63    -39.73                                   
REMARK 500  2 ASP A  91      176.79    -55.62                                   
REMARK 500  2 PRO A  99        2.40    -69.75                                   
REMARK 500  3 SER A   5      109.62   -163.04                                   
REMARK 500  3 SER A   6      134.06    -37.91                                   
REMARK 500  3 LEU A  61      -34.58    -39.11                                   
REMARK 500  3 SER A  95       43.85   -108.60                                   
REMARK 500  3 SER A 101       46.61     35.97                                   
REMARK 500  4 LEU A  61      -35.40    -37.36                                   
REMARK 500  5 ARG A  10       49.03   -105.24                                   
REMARK 500  5 VAL A  53      174.59    -59.44                                   
REMARK 500  5 HIS A  59      -19.17    -49.03                                   
REMARK 500  5 LEU A  61      -39.78    -35.84                                   
REMARK 500  5 GLU A  68      -37.92    -34.22                                   
REMARK 500  5 SER A  97      155.62    -38.87                                   
REMARK 500  6 SER A   3      160.12    -49.29                                   
REMARK 500  6 VAL A  53      174.51    -58.81                                   
REMARK 500  6 PRO A  55        2.61    -69.74                                   
REMARK 500  6 LEU A  61      -33.66    -39.66                                   
REMARK 500  6 ASP A  91      175.75    -59.25                                   
REMARK 500  6 SER A 101      112.13   -165.09                                   
REMARK 500  7 SER A   3      -51.58   -130.44                                   
REMARK 500  7 SER A   6      135.54    -35.05                                   
REMARK 500  7 VAL A  53      174.10    -58.76                                   
REMARK 500  7 ASP A  91     -178.91    -54.55                                   
REMARK 500  7 SER A  95      174.00    -50.31                                   
REMARK 500  7 ASN A  96      132.62    -35.19                                   
REMARK 500  7 SER A 100      123.67   -175.01                                   
REMARK 500  8 ASN A   9      109.30    -55.17                                   
REMARK 500  8 PHE A  11      126.88    -36.80                                   
REMARK 500  8 VAL A  53      174.13    -59.94                                   
REMARK 500  9 VAL A  53      173.76    -59.73                                   
REMARK 500  9 LEU A  61      -35.05    -34.60                                   
REMARK 500  9 SER A  95      133.84    -34.66                                   
REMARK 500 10 SER A   2      153.02    -40.81                                   
REMARK 500 10 LYS A  33      -37.64    -36.50                                   
REMARK 500 10 LEU A  61      -30.49    -36.27                                   
REMARK 500 10 GLU A  68      -39.46    -36.41                                   
REMARK 500 10 PRO A  99       85.15    -69.74                                   
REMARK 500 10 SER A 100       88.22    -68.64                                   
REMARK 500 11 ASN A   9       37.45     35.86                                   
REMARK 500 11 PHE A  11      127.95   -173.01                                   
REMARK 500 11 GLU A  68      -38.47    -35.24                                   
REMARK 500 11 TYR A  93      123.04    -36.41                                   
REMARK 500 11 SER A  95      150.32    -35.06                                   
REMARK 500 11 SER A  97      164.16    -42.82                                   
REMARK 500 11 PRO A  99     -177.31    -69.73                                   
REMARK 500 12 ARG A   8      120.36    -37.32                                   
REMARK 500 12 LYS A  33      -39.08    -36.32                                   
REMARK 500 12 VAL A  53      174.46    -59.79                                   
REMARK 500 12 LEU A  61      -36.89    -35.97                                   
REMARK 500 12 SER A  95       94.50    -67.09                                   
REMARK 500 13 SER A   2      110.42   -166.27                                   
REMARK 500 13 LYS A  57       57.06   -108.21                                   
REMARK 500 13 ARG A  85      -29.14    -38.55                                   
REMARK 500 13 ASP A  91     -178.91    -54.74                                   
REMARK 500 13 ALA A  92      169.66    -47.71                                   
REMARK 500 13 SER A 101      170.29    -58.35                                   
REMARK 500 14 ASN A   9       40.27    -95.85                                   
REMARK 500 14 LEU A  61      -33.16    -36.53                                   
REMARK 500 14 GLU A  68      -39.84    -34.31                                   
REMARK 500 14 ASP A  91      174.90    -48.85                                   
REMARK 500 14 SER A  94      108.94    -55.28                                   
REMARK 500 15 LYS A  33      -36.14    -38.80                                   
REMARK 500 15 ASP A  91      147.31    -38.21                                   
REMARK 500 16 SER A   3       42.09   -109.40                                   
REMARK 500 16 PHE A  11      109.35   -174.01                                   
REMARK 500 16 TRP A  13      174.61    -58.40                                   
REMARK 500 16 VAL A  53      174.22    -59.51                                   
REMARK 500 16 LEU A  61      -37.35    -34.46                                   
REMARK 500 16 ASP A  91      172.26    -54.44                                   
REMARK 500 16 ALA A  92      143.71    -35.37                                   
REMARK 500 16 SER A  94       39.44     72.81                                   
REMARK 500 17 SER A   2      155.99    -40.12                                   
REMARK 500 17 ASN A   9      -64.37   -123.24                                   
REMARK 500 17 VAL A  53      172.22    -57.60                                   
REMARK 500 17 LEU A  61      -35.09    -38.20                                   
REMARK 500 17 GLU A  68      -38.47    -33.88                                   
REMARK 500 17 ASN A  96       41.31     70.29                                   
REMARK 500 17 PRO A  99       86.46    -69.79                                   
REMARK 500 17 SER A 100      106.27    -48.65                                   
REMARK 500 18 LEU A  61      -33.16    -34.47                                   
REMARK 500 18 ASP A  91      178.15    -53.02                                   
REMARK 500 18 PRO A  99       86.68    -69.70                                   
REMARK 500 19 ARG A  10      118.75    -37.70                                   
REMARK 500 19 VAL A  53      174.71    -57.91                                   
REMARK 500 19 LEU A  61      -39.95    -36.12                                   
REMARK 500 19 GLU A  68      -34.44    -33.65                                   
REMARK 500 19 ASP A  91     -179.17    -55.61                                   
REMARK 500 19 PRO A  99        0.27    -69.76                                   
REMARK 500 19 SER A 100      137.40    -35.41                                   
REMARK 500 20 ARG A   8      -64.54   -124.26                                   
REMARK 500 20 ALA A  38      -19.46    -47.84                                   
REMARK 500 20 VAL A  53      173.93    -58.32                                   
REMARK 500 20 GLU A  68      -33.47    -34.08                                   
REMARK 500 20 SER A 100      -61.03   -121.63                                   
REMARK 500 20 SER A 101      128.15    -39.87                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2DA6 A    8    96  UNP    P35680   HNF1B_HUMAN    233    321             
SEQADV 2DA6 GLY A    1  UNP  P35680              CLONING ARTIFACT               
SEQADV 2DA6 SER A    2  UNP  P35680              CLONING ARTIFACT               
SEQADV 2DA6 SER A    3  UNP  P35680              CLONING ARTIFACT               
SEQADV 2DA6 GLY A    4  UNP  P35680              CLONING ARTIFACT               
SEQADV 2DA6 SER A    5  UNP  P35680              CLONING ARTIFACT               
SEQADV 2DA6 SER A    6  UNP  P35680              CLONING ARTIFACT               
SEQADV 2DA6 GLY A    7  UNP  P35680              CLONING ARTIFACT               
SEQADV 2DA6 SER A   97  UNP  P35680              CLONING ARTIFACT               
SEQADV 2DA6 GLY A   98  UNP  P35680              CLONING ARTIFACT               
SEQADV 2DA6 PRO A   99  UNP  P35680              CLONING ARTIFACT               
SEQADV 2DA6 SER A  100  UNP  P35680              CLONING ARTIFACT               
SEQADV 2DA6 SER A  101  UNP  P35680              CLONING ARTIFACT               
SEQADV 2DA6 GLY A  102  UNP  P35680              CLONING ARTIFACT               
SEQRES   1 A  102  GLY SER SER GLY SER SER GLY ARG ASN ARG PHE LYS TRP          
SEQRES   2 A  102  GLY PRO ALA SER GLN GLN ILE LEU TYR GLN ALA TYR ASP          
SEQRES   3 A  102  ARG GLN LYS ASN PRO SER LYS GLU GLU ARG GLU ALA LEU          
SEQRES   4 A  102  VAL GLU GLU CYS ASN ARG ALA GLU CYS LEU GLN ARG GLY          
SEQRES   5 A  102  VAL SER PRO SER LYS ALA HIS GLY LEU GLY SER ASN LEU          
SEQRES   6 A  102  VAL THR GLU VAL ARG VAL TYR ASN TRP PHE ALA ASN ARG          
SEQRES   7 A  102  ARG LYS GLU GLU ALA PHE ARG GLN LYS LEU ALA MET ASP          
SEQRES   8 A  102  ALA TYR SER SER ASN SER GLY PRO SER SER GLY                  
HELIX    1   1 GLY A   14  ASP A   26  1                                  13    
HELIX    2   2 SER A   32  ARG A   51  1                                  20    
HELIX    3   3 LYS A   57  LEU A   65  5                                   9    
HELIX    4   4 THR A   67  ASP A   91  1                                  25    
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                                                                             
DBGET integrated database retrieval system