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Database: PDB
Entry: 2DMQ
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Original site: 2DMQ 
HEADER    DNA BINDING PROTEIN                     24-APR-06   2DMQ              
TITLE     SOLUTION STRUCTURE OF THE HOMEOBOX DOMAIN OF LIM/HOMEOBOX             
TITLE    2 PROTEIN LHX9                                                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: LIM/HOMEOBOX PROTEIN LHX9;                                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: HOMEOBOX 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: LHX9;                                                          
SOURCE   6 EXPRESSION_SYSTEM: CELL FREE SYNTHESIS;                              
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: P050613-31;                               
SOURCE   9 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,N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,             
AUTHOR   2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)               
REVDAT   2   24-FEB-09 2DMQ    1       VERSN                                    
REVDAT   1   24-OCT-06 2DMQ    0                                                
JRNL        AUTH   S.OHNISHI,N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,               
JRNL        AUTH 2 S.YOKOYAMA                                                   
JRNL        TITL   SOLUTION STRUCTURE OF THE HOMEOBOX DOMAIN OF                 
JRNL        TITL 2 LIM/HOMEOBOX PROTEIN LHX9                                    
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 2DMQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-APR-06.                  
REMARK 100 THE RCSB ID CODE IS RCSB025597.                                      
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                : 1.2MM PROTEIN U-15N,13C; 20MM      
REMARK 210                                   D-TRIS-HCL(PH7.0); 100MM NACL;     
REMARK 210                                   1MM D-DTT; 0.02% NAN3; 90%         
REMARK 210                                   H2O, 10% D2O                       
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                 : XWINNMR 3.5, NMRPIPE               
REMARK 210                                   20030801, NMRVIEW 5.0.4,           
REMARK 210                                   KUJIRA 0.965, 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 SER A   3       41.66    -87.30                                   
REMARK 500  1 LEU A  46     -176.71    -64.03                                   
REMARK 500  1 GLU A  70      131.48    -39.79                                   
REMARK 500  1 SER A  78      121.78    -36.66                                   
REMARK 500  1 SER A  79      113.27    -38.92                                   
REMARK 500  2 PRO A  77     -177.04    -69.84                                   
REMARK 500  2 SER A  78       52.77     39.54                                   
REMARK 500  3 SER A   3      -60.82   -106.61                                   
REMARK 500  3 ARG A  49      -70.46    -47.32                                   
REMARK 500  3 GLN A  69       47.96     37.87                                   
REMARK 500  4 SER A  13      157.23    -43.75                                   
REMARK 500  4 ALA A  41      -29.60    -38.35                                   
REMARK 500  4 LEU A  46      172.75    -56.15                                   
REMARK 500  4 GLN A  69       41.49    -91.04                                   
REMARK 500  5 ARG A  11      140.16    -35.71                                   
REMARK 500  5 LEU A  46     -176.05    -64.03                                   
REMARK 500  5 GLN A  69      109.91    -53.73                                   
REMARK 500  5 SER A  75      130.25   -173.82                                   
REMARK 500  5 SER A  79      118.71   -163.73                                   
REMARK 500  6 GLN A  69       38.10    -98.74                                   
REMARK 500  6 SER A  75      149.75    -34.61                                   
REMARK 500  6 SER A  79      107.25    -46.89                                   
REMARK 500  7 LYS A   8      -48.60   -130.36                                   
REMARK 500  7 GLN A  69      109.22    -42.88                                   
REMARK 500  8 SER A   6      124.17    -36.89                                   
REMARK 500  8 ALA A  41      -30.13    -38.16                                   
REMARK 500  8 GLN A  69       39.47    -89.46                                   
REMARK 500  9 LYS A   8      -45.33   -131.66                                   
REMARK 500  9 ARG A  68       42.68     34.21                                   
REMARK 500  9 GLU A  70       81.61    -68.15                                   
REMARK 500 10 SER A   6       50.23    -92.49                                   
REMARK 500 10 THR A  12       72.47    -66.21                                   
REMARK 500 11 SER A   5      126.55   -174.98                                   
REMARK 500 11 LEU A  46     -179.71    -63.39                                   
REMARK 500 11 VAL A  74      142.49   -172.08                                   
REMARK 500 12 SER A   3      107.68    -54.74                                   
REMARK 500 12 SER A   5      142.45   -172.01                                   
REMARK 500 12 LYS A   8      146.05    -37.25                                   
REMARK 500 12 ASN A  31       70.96   -117.86                                   
REMARK 500 12 SER A  78      -58.09   -120.18                                   
REMARK 500 13 ARG A  20      -34.45    -40.00                                   
REMARK 500 13 GLN A  69       98.02    -64.90                                   
REMARK 500 13 ASN A  71       50.03     37.37                                   
REMARK 500 14 ASN A  71      151.09    -46.64                                   
REMARK 500 14 VAL A  74      128.71   -174.73                                   
REMARK 500 15 GLN A  69       50.98     70.34                                   
REMARK 500 16 GLN A  69      102.21    -39.18                                   
REMARK 500 17 ARG A   9       45.07     39.10                                   
REMARK 500 17 GLU A  70       45.42    -95.73                                   
REMARK 500 17 VAL A  74       35.60     34.24                                   
REMARK 500 18 SER A   3       42.46     70.92                                   
REMARK 500 18 ARG A  68      143.30    -38.57                                   
REMARK 500 18 GLU A  70       26.74     48.96                                   
REMARK 500 18 ASN A  71      115.37    -35.40                                   
REMARK 500 18 VAL A  74      144.95    -34.99                                   
REMARK 500 19 SER A   2       42.23   -108.03                                   
REMARK 500 19 SER A   5      176.25    -49.01                                   
REMARK 500 19 MET A  10      131.38   -174.07                                   
REMARK 500 19 THR A  12      146.24   -173.59                                   
REMARK 500 19 SER A  13      178.06    -54.12                                   
REMARK 500 19 ARG A  68      143.83    -39.14                                   
REMARK 500 20 PRO A  77       97.76    -69.72                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: HSO002002111.1   RELATED DB: TARGETDB                    
DBREF  2DMQ A    8    74  UNP    Q9NQ69   LHX9_HUMAN     259    325             
SEQADV 2DMQ GLY A    1  UNP  Q9NQ69              CLONING ARTIFACT               
SEQADV 2DMQ SER A    2  UNP  Q9NQ69              CLONING ARTIFACT               
SEQADV 2DMQ SER A    3  UNP  Q9NQ69              CLONING ARTIFACT               
SEQADV 2DMQ GLY A    4  UNP  Q9NQ69              CLONING ARTIFACT               
SEQADV 2DMQ SER A    5  UNP  Q9NQ69              CLONING ARTIFACT               
SEQADV 2DMQ SER A    6  UNP  Q9NQ69              CLONING ARTIFACT               
SEQADV 2DMQ GLY A    7  UNP  Q9NQ69              CLONING ARTIFACT               
SEQADV 2DMQ SER A   75  UNP  Q9NQ69              CLONING ARTIFACT               
SEQADV 2DMQ GLY A   76  UNP  Q9NQ69              CLONING ARTIFACT               
SEQADV 2DMQ PRO A   77  UNP  Q9NQ69              CLONING ARTIFACT               
SEQADV 2DMQ SER A   78  UNP  Q9NQ69              CLONING ARTIFACT               
SEQADV 2DMQ SER A   79  UNP  Q9NQ69              CLONING ARTIFACT               
SEQADV 2DMQ GLY A   80  UNP  Q9NQ69              CLONING ARTIFACT               
SEQRES   1 A   80  GLY SER SER GLY SER SER GLY LYS ARG MET ARG THR SER          
SEQRES   2 A   80  PHE LYS HIS HIS GLN LEU ARG THR MET LYS SER TYR PHE          
SEQRES   3 A   80  ALA ILE ASN HIS ASN PRO ASP ALA LYS ASP LEU LYS GLN          
SEQRES   4 A   80  LEU ALA GLN LYS THR GLY LEU THR LYS ARG VAL LEU GLN          
SEQRES   5 A   80  VAL TRP PHE GLN ASN ALA ARG ALA LYS PHE ARG ARG ASN          
SEQRES   6 A   80  LEU LEU ARG GLN GLU ASN GLY GLY VAL SER GLY PRO SER          
SEQRES   7 A   80  SER GLY                                                      
HELIX    1   1 LYS A   15  ASN A   29  1                                  15    
HELIX    2   2 ASP A   33  THR A   44  1                                  12    
HELIX    3   3 THR A   47  ARG A   68  1                                  22    
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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