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Database: PDB
Entry: 1X0O
LinkDB: 1X0O
Original site: 1X0O 
HEADER    TRANSCRIPTION                           25-MAR-05   1X0O              
TITLE     HUMAN ARNT C-TERMINAL PAS DOMAIN                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ARYL HYDROCARBON RECEPTOR NUCLEAR TRANSLOCATOR;            
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: C-TERMINAL PAS DOMAIN;                                     
COMPND   5 SYNONYM: ARNT PROTEIN, DIOXIN RECEPTOR, NUCLEAR                      
COMPND   6 TRANSLOCATOR, HYPOXIA-INDUCIBLE FACTOR 1 BETA, HIF-1 BETA            
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606                                                 
KEYWDS    PAS, MIXED ALPHA-BETA FOLD, HYPOXIA, ARYL HYDROCARBON                 
KEYWDS   2 RECEPTOR NUCLEAR TRANSLOCATOR, ARNT, TRANSCRIPTION                   
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    P.B.CARD,P.J.ERBEL,K.H.GARDNER                                        
REVDAT   2   24-FEB-09 1X0O    1       VERSN                                    
REVDAT   1   25-OCT-05 1X0O    0                                                
JRNL        AUTH   P.B.CARD,P.J.ERBEL,K.H.GARDNER                               
JRNL        TITL   STRUCTURAL BASIS OF ARNT PAS-B DIMERIZATION: USE             
JRNL        TITL 2 OF A COMMON BETA-SHEET INTERFACE FOR HETERO- AND             
JRNL        TITL 3 HOMODIMERIZATION.                                            
JRNL        REF    J.MOL.BIOL.                   V. 353   664 2005              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   16181639                                                     
JRNL        DOI    10.1016/J.JMB.2005.08.043                                    
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3                 KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,        
REMARK   3                 RICE,SIMONSON,WARREN                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1X0O COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 29-MAR-05.                  
REMARK 100 THE RCSB ID CODE IS RCSB024231.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298; 310                           
REMARK 210  PH                             : 6.5; 6.6                           
REMARK 210  IONIC STRENGTH                 : 17MM NACL; 17MM NACL               
REMARK 210  PRESSURE                       : AMBIENT; AMBIENT                   
REMARK 210  SAMPLE CONTENTS                : 1MM HARNT C-TERM PAS DOMAIN U      
REMARK 210                                   -15N,13C; 50MM TRIS BUFFER;        
REMARK 210                                   17MM NACL, 5MM DTT; 0.478MM        
REMARK 210                                   HARNT C-TERM PAS DOMAIN U-15N;     
REMARK 210                                   50MM TRIS BUFFER; 17MM NACL,       
REMARK 210                                   5MM DTT                            
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_15N_13C-SEPERATED NOESY,        
REMARK 210                                   3D_15N-SEPARATED_NOESY, HNHA,      
REMARK 210                                   3D_HNCACB, 3D_CBCACONH, 3D_        
REMARK 210                                   HNCO, 3D_15N-SEPERATED TOCSY,      
REMARK 210                                   3D_HCCH_TOCSY, HBCBCGCDHD,         
REMARK 210                                   IPAP_HSQC                          
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ, 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE 2.3, NMRVIEW 5.2.2,        
REMARK 210                                   ARIA 1.2, CNS 1.1                  
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 1000                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 5                   
REMARK 210                                                                      
REMARK 210 REMARK: USED STANDARD 2D AND 3D HOMONUCLEAR AND HETERONUCLEAR-       
REMARK 210  EDITED TECHNIQUES                                                   
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   2       65.40     60.08                                   
REMARK 500  1 VAL A   6      122.98     74.37                                   
REMARK 500  1 LYS A  68       98.46     61.93                                   
REMARK 500  1 PRO A  98       32.19    -69.71                                   
REMARK 500  1 VAL A 113      -90.33   -101.75                                   
REMARK 500  1 SER A 116       43.59   -145.67                                   
REMARK 500  1 SER A 117      -43.66   -164.16                                   
REMARK 500  2 MET A   3      -32.95    175.71                                   
REMARK 500  2 LYS A  68       96.37     62.12                                   
REMARK 500  2 SER A 100      -21.34   -146.35                                   
REMARK 500  2 VAL A 113      -92.47    -98.88                                   
REMARK 500  2 SER A 117      131.60   -178.04                                   
REMARK 500  3 VAL A   6      132.84   -170.26                                   
REMARK 500  3 THR A  10       31.43    -87.34                                   
REMARK 500  3 LYS A  68       93.48     57.48                                   
REMARK 500  3 SER A 100      -16.31   -145.06                                   
REMARK 500  3 VAL A 113      -97.96    -95.08                                   
REMARK 500  3 ASN A 115     -148.40     53.30                                   
REMARK 500  4 ASN A   5       93.81   -171.24                                   
REMARK 500  4 CYS A   7       77.47     57.77                                   
REMARK 500  4 LYS A  68       80.54     49.08                                   
REMARK 500  4 PRO A  98       -9.91    -59.55                                   
REMARK 500  4 VAL A 113      -91.09    -92.92                                   
REMARK 500  5 VAL A   6      144.28   -175.99                                   
REMARK 500  5 PRO A   9      153.29    -48.12                                   
REMARK 500  5 LYS A  68      109.72    -29.58                                   
REMARK 500  5 SER A  80     -178.53    -63.79                                   
REMARK 500  5 ASP A 101      -19.30     73.24                                   
REMARK 500  5 TYR A 105     -174.59   -179.03                                   
REMARK 500  5 VAL A 113     -140.81    -92.57                                   
REMARK 500  5 LYS A 114     -154.54   -129.33                                   
REMARK 500  5 ASN A 115      -48.64     74.83                                   
REMARK 500  6 MET A   3      -66.05     69.47                                   
REMARK 500  6 ASN A   5      -75.59     69.30                                   
REMARK 500  6 VAL A   6     -172.35   -179.02                                   
REMARK 500  6 CYS A   7       91.54    -61.65                                   
REMARK 500  6 LYS A  68       92.33     58.66                                   
REMARK 500  6 SER A 100      -24.47   -145.96                                   
REMARK 500  6 ASP A 101       -7.40     69.75                                   
REMARK 500  6 SER A 116      -71.56     73.29                                   
REMARK 500  6 GLN A 118       91.09     77.76                                   
REMARK 500  7 MET A   3     -156.98     64.53                                   
REMARK 500  7 THR A  10       32.86    -89.13                                   
REMARK 500  7 LYS A  68       99.36     62.36                                   
REMARK 500  7 PRO A  98        9.40    -68.25                                   
REMARK 500  7 VAL A 113     -113.60    -88.90                                   
REMARK 500  7 ASN A 115       45.97     73.02                                   
REMARK 500  7 SER A 116       44.49   -154.90                                   
REMARK 500  8 ALA A   2      -64.86   -134.68                                   
REMARK 500  8 MET A   3      117.62     67.75                                   
REMARK 500  8 ASP A   4      144.46     75.89                                   
REMARK 500  8 ASN A   5      -65.06   -144.18                                   
REMARK 500  8 CYS A   7       95.87    -68.46                                   
REMARK 500  8 PRO A   9      156.82    -48.38                                   
REMARK 500  8 THR A  10       30.26    -87.69                                   
REMARK 500  8 LYS A  68       98.28     58.78                                   
REMARK 500  8 VAL A 113      -93.68    -90.30                                   
REMARK 500  8 ASN A 115      146.24     75.63                                   
REMARK 500  8 SER A 117      -62.96    -96.29                                   
REMARK 500  8 GLN A 118     -159.71   -114.06                                   
REMARK 500  9 MET A   3      -18.52     72.32                                   
REMARK 500  9 ASN A   5      146.71    175.05                                   
REMARK 500  9 VAL A   6      132.84   -179.23                                   
REMARK 500  9 VAL A  33      -34.01   -131.18                                   
REMARK 500  9 SER A 100      -20.07   -168.64                                   
REMARK 500  9 VAL A 113     -127.59    -93.35                                   
REMARK 500  9 ASN A 115       96.39     71.49                                   
REMARK 500 10 MET A   3      -73.65   -179.25                                   
REMARK 500 10 LYS A  68       97.98     62.54                                   
REMARK 500 10 SER A 100      -17.35   -143.72                                   
REMARK 500 10 ASP A 101      -13.96     74.19                                   
REMARK 500 10 SER A 116      136.81     73.86                                   
REMARK 500 11 ALA A   2      -70.36     68.63                                   
REMARK 500 11 ASP A   4       98.53     63.55                                   
REMARK 500 11 CYS A   7       81.25     64.41                                   
REMARK 500 11 THR A  10       33.00    -85.68                                   
REMARK 500 11 ARG A  28        0.02    -68.43                                   
REMARK 500 11 LYS A  68      101.70    -36.47                                   
REMARK 500 11 VAL A 113      -84.27    -94.42                                   
REMARK 500 11 SER A 116      -76.19     68.42                                   
REMARK 500 12 MET A   3      -66.24   -171.89                                   
REMARK 500 12 CYS A   7       65.24     70.07                                   
REMARK 500 12 LYS A  68       93.41     55.51                                   
REMARK 500 12 SER A 100      -14.99   -141.98                                   
REMARK 500 12 ASP A 101      -15.11     71.57                                   
REMARK 500 12 ASN A 115      171.46     68.97                                   
REMARK 500 12 SER A 116      -41.02   -148.33                                   
REMARK 500 12 SER A 117       67.82     64.42                                   
REMARK 500 13 ALA A   2      -77.39    -98.33                                   
REMARK 500 13 MET A   3      176.91     68.29                                   
REMARK 500 13 CYS A   7       70.30     59.22                                   
REMARK 500 13 LEU A  67       30.45    -95.78                                   
REMARK 500 13 LYS A  68      109.99    -29.86                                   
REMARK 500 13 SER A 100      -18.79   -147.11                                   
REMARK 500 13 VAL A 113      -95.83    -82.81                                   
REMARK 500 14 VAL A   6      143.64     76.92                                   
REMARK 500 14 CYS A   7      105.99    -58.78                                   
REMARK 500 14 LYS A  68      108.62    -34.51                                   
REMARK 500 14 SER A  80      173.54    -58.55                                   
REMARK 500 14 PRO A  98       -8.49    -59.00                                   
REMARK 500 14 SER A 100       22.02   -144.41                                   
REMARK 500 14 TYR A 105     -172.13    179.97                                   
REMARK 500 14 VAL A 113      -83.29   -105.58                                   
REMARK 500 14 SER A 116      162.99     71.22                                   
REMARK 500 15 ALA A   2      -68.90   -162.85                                   
REMARK 500 15 ASP A   4      -85.01   -149.91                                   
REMARK 500 15 VAL A   6      140.66     72.16                                   
REMARK 500 15 LYS A  68       95.24     62.28                                   
REMARK 500 15 PRO A  98        1.97    -66.20                                   
REMARK 500 15 SER A 100       -0.29   -157.95                                   
REMARK 500 15 ASP A 101       27.28     49.07                                   
REMARK 500 15 VAL A 113      -96.00    -92.73                                   
REMARK 500 15 ASN A 115      140.28     69.52                                   
REMARK 500 16 MET A   3      106.92    172.74                                   
REMARK 500 16 ASP A   4      -43.94     70.35                                   
REMARK 500 16 CYS A   7      121.77     72.33                                   
REMARK 500 16 LYS A  68       97.57     57.69                                   
REMARK 500 16 VAL A 113      -83.79    -81.19                                   
REMARK 500 16 SER A 117       85.19    -66.28                                   
REMARK 500 17 CYS A   7       76.31     63.55                                   
REMARK 500 17 THR A  10       31.70    -89.15                                   
REMARK 500 17 VAL A  33      -30.81   -132.27                                   
REMARK 500 17 LEU A  67       30.36    -86.03                                   
REMARK 500 17 LYS A  68      108.71    -28.06                                   
REMARK 500 17 SER A 100      -13.78   -144.64                                   
REMARK 500 17 VAL A 113     -112.10    -87.17                                   
REMARK 500 17 SER A 117       37.68   -165.50                                   
REMARK 500 17 GLN A 118       43.05   -172.24                                   
REMARK 500 18 ASP A   4       80.39     67.37                                   
REMARK 500 18 CYS A   7       38.56    172.58                                   
REMARK 500 18 THR A  10       34.09    -88.54                                   
REMARK 500 18 LEU A  67       30.11    -91.42                                   
REMARK 500 18 LYS A  68      115.45    -31.26                                   
REMARK 500 18 ASP A 101       18.33     55.79                                   
REMARK 500 18 VAL A 113      -89.63   -115.11                                   
REMARK 500 19 ALA A   2      173.40     71.34                                   
REMARK 500 19 MET A   3     -166.54     59.75                                   
REMARK 500 19 ASP A   4       84.43     60.39                                   
REMARK 500 19 VAL A   6      137.75   -172.25                                   
REMARK 500 19 LYS A  68       98.39     58.60                                   
REMARK 500 19 ASP A 101      -10.94     68.82                                   
REMARK 500 19 VAL A 113      -99.33    -87.99                                   
REMARK 500 19 ASN A 115      140.29     67.23                                   
REMARK 500 20 ALA A   2      -63.19   -155.88                                   
REMARK 500 20 MET A   3     -101.40     56.21                                   
REMARK 500 20 VAL A   6      -39.10   -136.31                                   
REMARK 500 20 LYS A  68       90.06     60.39                                   
REMARK 500 20 GLN A  83       52.33     70.19                                   
REMARK 500 20 SER A 100      -15.63   -148.79                                   
REMARK 500 20 TYR A 105     -172.32   -173.85                                   
REMARK 500 20 VAL A 113     -112.19    -86.49                                   
REMARK 500 20 ASN A 115      102.81     63.09                                   
REMARK 500 20 SER A 116      -71.86   -163.29                                   
REMARK 500 20 SER A 117       27.61   -168.03                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500 12 ARG A  79         0.07    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1X0O A    5   119  UNP    P27540   ARNT_HUMAN     356    470             
SEQADV 1X0O GLY A    1  UNP  P27540              CLONING ARTIFACT               
SEQADV 1X0O ALA A    2  UNP  P27540              CLONING ARTIFACT               
SEQADV 1X0O MET A    3  UNP  P27540              CLONING ARTIFACT               
SEQADV 1X0O ASP A    4  UNP  P27540              CLONING ARTIFACT               
SEQRES   1 A  119  GLY ALA MET ASP ASN VAL CYS GLN PRO THR GLU PHE ILE          
SEQRES   2 A  119  SER ARG HIS ASN ILE GLU GLY ILE PHE THR PHE VAL ASP          
SEQRES   3 A  119  HIS ARG CYS VAL ALA THR VAL GLY TYR GLN PRO GLN GLU          
SEQRES   4 A  119  LEU LEU GLY LYS ASN ILE VAL GLU PHE CYS HIS PRO GLU          
SEQRES   5 A  119  ASP GLN GLN LEU LEU ARG ASP SER PHE GLN GLN VAL VAL          
SEQRES   6 A  119  LYS LEU LYS GLY GLN VAL LEU SER VAL MET PHE ARG PHE          
SEQRES   7 A  119  ARG SER LYS ASN GLN GLU TRP LEU TRP MET ARG THR SER          
SEQRES   8 A  119  SER PHE THR PHE GLN ASN PRO TYR SER ASP GLU ILE GLU          
SEQRES   9 A  119  TYR ILE ILE CYS THR ASN THR ASN VAL LYS ASN SER SER          
SEQRES  10 A  119  GLN GLU                                                      
HELIX    1   1 ARG A   28  GLY A   34  1                                   7    
HELIX    2   2 GLN A   36  LEU A   41  1                                   6    
HELIX    3   3 ASP A   53  LYS A   68  1                                  16    
SHEET    1   A 5 PHE A  22  VAL A  25  0                                        
SHEET    2   A 5 GLU A  11  HIS A  16 -1  N  ARG A  15   O  PHE A  24           
SHEET    3   A 5 ILE A 103  ASN A 112 -1  O  CYS A 108   N  SER A  14           
SHEET    4   A 5 TRP A  85  GLN A  96 -1  N  ARG A  89   O  THR A 111           
SHEET    5   A 5 LEU A  72  ARG A  79 -1  N  VAL A  74   O  THR A  90           
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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