GenomeNet

Database: PDB
Entry: 2B02
LinkDB: 2B02
Original site: 2B02 
HEADER    TRANSCRIPTION                           12-SEP-05   2B02              
TITLE     CRYSTAL STRUCTURE OF ARNT PAS-B DOMAIN                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ARYL HYDROCARBON RECEPTOR NUCLEAR TRANSLOCATOR;            
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: PAS-B DOMAIN;                                              
COMPND   5 SYNONYM: ARNT PROTEIN, DIOXIN RECEPTOR, NUCLEAR TRANSLOCATOR,        
COMPND   6 HYPOXIA-INDUCIBLE FACTOR 1 BETA, HIF-1 BETA;                         
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: ARNT;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: B834(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID                               
KEYWDS    PAS DOMAIN, ARNT, HIF, AHR, TRANSCRIPTION                             
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.LEE,M.V.BOTUYAN,Y.NOMINE,M.OHH,J.R.THOMPSON,G.MER                   
REVDAT   3   13-JUL-11 2B02    1       VERSN                                    
REVDAT   2   24-FEB-09 2B02    1       VERSN                                    
REVDAT   1   24-OCT-06 2B02    0                                                
JRNL        AUTH   J.LEE,M.V.BOTUYAN,Y.NOMINE,M.OHH,J.R.THOMPSON,G.MER          
JRNL        TITL   CRYSTAL STRUCTURE AND BINDING PROPERTIES OF ARNT PAS-B       
JRNL        TITL 2 HETERODIMERIZATION DOMAIN                                    
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.2.0005                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD WITH PHASES                
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 48.06                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 20229                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.188                           
REMARK   3   R VALUE            (WORKING SET) : 0.187                           
REMARK   3   FREE R VALUE                     : 0.208                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1093                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.50                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.54                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1452                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 99.03                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2370                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 83                           
REMARK   3   BIN FREE R VALUE                    : 0.2720                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 921                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 111                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   B VALUE TYPE : LIKELY RESIDUAL                                     
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 21.71                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.28000                                             
REMARK   3    B22 (A**2) : -0.55000                                             
REMARK   3    B33 (A**2) : 0.83000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.076         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.075         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.043         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.327         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.963                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.952                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  1029 ; 0.009 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  1406 ; 1.187 ; 1.923       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   129 ; 5.561 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    54 ;40.109 ;24.259       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   182 ;11.978 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     7 ;24.580 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   152 ; 0.086 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):   812 ; 0.005 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):   464 ; 0.211 ; 0.200       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):   737 ; 0.300 ; 0.200       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):   100 ; 0.145 ; 0.200       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):    55 ; 0.178 ; 0.200       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):    16 ; 0.137 ; 0.200       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):   634 ; 0.921 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  1018 ; 1.216 ; 2.000       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   449 ; 2.062 ; 3.000       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   388 ; 3.073 ; 4.500       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   354        A   464                          
REMARK   3    ORIGIN FOR THE GROUP (A):  20.5425  38.2812  22.8709              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0261 T22:  -0.0182                                     
REMARK   3      T33:  -0.0313 T12:   0.0064                                     
REMARK   3      T13:   0.0060 T23:   0.0162                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6535 L22:   1.6424                                     
REMARK   3      L33:   0.6748 L12:  -0.0597                                     
REMARK   3      L13:   0.0348 L23:  -0.1742                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0504 S12:   0.0328 S13:   0.0857                       
REMARK   3      S21:   0.0128 S22:  -0.0234 S23:   0.0708                       
REMARK   3      S31:   0.0085 S32:  -0.0447 S33:  -0.0270                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS                                                           
REMARK   4                                                                      
REMARK   4 2B02 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-SEP-05.                  
REMARK 100 THE RCSB ID CODE IS RCSB034506.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : NULL                               
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 8.65                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 19-BM                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.96209, 0.97932, 0.97942,         
REMARK 200                                   0.99503                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : CUSTOM-MADE                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 4398                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 48.060                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.6                               
REMARK 200  DATA REDUNDANCY                : 4.600                              
REMARK 200  R MERGE                    (I) : 0.04000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 396.7000                           
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.55                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.3                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.47300                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 13.200                             
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: MAD                                            
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD                          
REMARK 200 SOFTWARE USED: SOLVE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 47.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.30                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULFATE, PEG 400, HEPES, PH     
REMARK 280  8.65, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K               
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X,Y,-Z                                                 
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z+1/2                                       
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   X+1/2,-Y+1/2,-Z+1/2                                     
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       27.66050            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       30.80500            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       38.35550            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       27.66050            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       30.80500            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       38.35550            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       27.66050            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       30.80500            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       38.35550            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       27.66050            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       30.80500            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       38.35550            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH A  43  LIES ON A SPECIAL POSITION.                          
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY A   352                                                      
REMARK 465     HIS A   353                                                      
REMARK 465     LYS A   465                                                      
REMARK 465     ASN A   466                                                      
REMARK 465     SER A   467                                                      
REMARK 465     SER A   468                                                      
REMARK 465     GLN A   469                                                      
REMARK 465     GLU A   470                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   OE2  GLU A   403     O    HOH A    37              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2B02 A  354   470  UNP    P27540   ARNT_HUMAN     354    470             
SEQADV 2B02 GLY A  352  UNP  P27540              CLONING ARTIFACT               
SEQADV 2B02 HIS A  353  UNP  P27540              CLONING ARTIFACT               
SEQADV 2B02 MSE A  354  UNP  P27540    MET   354 MODIFIED RESIDUE               
SEQADV 2B02 SER A  358  UNP  P27540    CYS   358 ENGINEERED                     
SEQADV 2B02 MSE A  426  UNP  P27540    MET   426 MODIFIED RESIDUE               
SEQADV 2B02 MSE A  439  UNP  P27540    MET   439 MODIFIED RESIDUE               
SEQRES   1 A  119  GLY HIS MSE SER ASN VAL SER 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 MSE PHE ARG PHE          
SEQRES   7 A  119  ARG SER LYS ASN GLN GLU TRP LEU TRP MSE 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                                                      
MODRES 2B02 MSE A  354  MET  SELENOMETHIONINE                                   
MODRES 2B02 MSE A  426  MET  SELENOMETHIONINE                                   
MODRES 2B02 MSE A  439  MET  SELENOMETHIONINE                                   
HET    MSE  A 354       8                                                       
HET    MSE  A 426      16                                                       
HET    MSE  A 439      16                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
FORMUL   1  MSE    3(C5 H11 N O2 SE)                                            
FORMUL   2  HOH   *111(H2 O)                                                    
HELIX    1   1 ARG A  379  GLY A  385  1                                   7    
HELIX    2   2 GLN A  387  LEU A  391  5                                   5    
HELIX    3   3 ASN A  395  CYS A  400  5                                   6    
HELIX    4   4 HIS A  401  GLU A  403  5                                   3    
HELIX    5   5 ASP A  404  LEU A  418  1                                  15    
SHEET    1   A 5 PHE A 373  VAL A 376  0                                        
SHEET    2   A 5 GLU A 362  HIS A 367 -1  N  ARG A 366   O  THR A 374           
SHEET    3   A 5 ILE A 454  ASN A 463 -1  O  CYS A 459   N  SER A 365           
SHEET    4   A 5 TRP A 436  GLN A 447 -1  N  PHE A 446   O  GLU A 455           
SHEET    5   A 5 LEU A 423  ARG A 430 -1  N  PHE A 427   O  MSE A 439           
LINK         C   MSE A 354                 N   SER A 355     1555   1555  1.33  
LINK         C   VAL A 425                 N  BMSE A 426     1555   1555  1.33  
LINK         C   VAL A 425                 N  AMSE A 426     1555   1555  1.33  
LINK         C  BMSE A 426                 N   PHE A 427     1555   1555  1.32  
LINK         C  AMSE A 426                 N   PHE A 427     1555   1555  1.34  
LINK         C   TRP A 438                 N  BMSE A 439     1555   1555  1.33  
LINK         C   TRP A 438                 N  AMSE A 439     1555   1555  1.33  
LINK         C  BMSE A 439                 N   ARG A 440     1555   1555  1.34  
LINK         C  AMSE A 439                 N   ARG A 440     1555   1555  1.32  
CRYST1   55.321   61.610   76.711  90.00  90.00  90.00 I 2 2 2       8          
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      0.018076  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.016231  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013036        0.00000                         
HETATM    1  N   MSE A 354      43.574  27.133  12.132  1.00 32.69           N  
HETATM    2  CA  MSE A 354      43.405  28.117  13.244  1.00 34.24           C  
HETATM    3  C   MSE A 354      43.545  29.535  12.712  1.00 31.35           C  
HETATM    4  O   MSE A 354      44.370  29.796  11.837  1.00 31.18           O  
HETATM    5  CB  MSE A 354      44.463  27.879  14.318  1.00 33.88           C  
HETATM    6  CG  MSE A 354      43.997  28.067  15.756  1.00 37.01           C  
HETATM    7 SE   MSE A 354      45.549  28.208  16.950  1.00 42.37          SE  
HETATM    8  CE  MSE A 354      46.071  30.013  16.384  1.00 40.61           C  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system