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Database: PDB
Entry: 4GHU
LinkDB: 4GHU
Original site: 4GHU 
HEADER    IMMUNE SYSTEM                           08-AUG-12   4GHU              
TITLE     CRYSTAL STRUCTURE OF TRAF3/CARDIF                                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TNF RECEPTOR-ASSOCIATED FACTOR 3;                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 376-567;                                      
COMPND   5 SYNONYM: CD40 RECEPTOR-ASSOCIATED FACTOR 1, CRAF1, TRAFAMN;          
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: MITOCHONDRIAL ANTIVIRAL-SIGNALING PROTEIN;                 
COMPND   9 CHAIN: B;                                                            
COMPND  10 FRAGMENT: UNP RESIDUES 138-158;                                      
COMPND  11 SYNONYM: CARDIF, MAVS, CARD ADAPTER INDUCING INTERFERON BETA,        
COMPND  12 INTERFERON BETA PROMOTER STIMULATOR PROTEIN 1, IPS-1, VIRUS-INDUCED- 
COMPND  13 SIGNALING ADAPTER, VISA;                                             
COMPND  14 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: TRAF3;                                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 SYNTHETIC: YES;                                                      
SOURCE  10 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE  11 ORGANISM_COMMON: MOUSE;                                              
SOURCE  12 ORGANISM_TAXID: 10090;                                               
SOURCE  13 OTHER_DETAILS: CHEMICAL SYNTHESIS                                    
KEYWDS    ALPHA/BETA, INNATE IMMUNITY, IFN PATHWAY, IMMUNE SYSTEM               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    P.ZHANG                                                               
REVDAT   1   28-NOV-12 4GHU    0                                                
JRNL        AUTH   P.ZHANG,A.REICHARDT,H.LIANG,R.ALIYARI,D.CHENG,Y.WANG,F.XU,   
JRNL        AUTH 2 G.CHENG,Y.LIU                                                
JRNL        TITL   SINGLE AMINO ACID SUBSTITUTIONS CONFER THE ANTIVIRAL         
JRNL        TITL 2 ACTIVITY OF THE TRAF3 ADAPTOR PROTEIN ONTO TRAF5             
JRNL        REF    SCI.SIGNAL.                   V.   5  RA81 2012              
JRNL        REFN                   ESSN 1937-9145                               
JRNL        PMID   23150880                                                     
JRNL        DOI    10.1126/SCISIGNAL.2003152                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6.4_486)                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 36.82                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 93.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 15312                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.183                           
REMARK   3   R VALUE            (WORKING SET) : 0.178                           
REMARK   3   FREE R VALUE                     : 0.224                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.070                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 1542                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 36.8243 -  4.8879    0.99     1421   164  0.1952 0.2372        
REMARK   3     2  4.8879 -  3.8810    0.99     1371   151  0.1527 0.1777        
REMARK   3     3  3.8810 -  3.3908    0.99     1334   149  0.1643 0.1834        
REMARK   3     4  3.3908 -  3.0810    0.97     1294   146  0.1710 0.2063        
REMARK   3     5  3.0810 -  2.8602    0.94     1257   139  0.1884 0.2615        
REMARK   3     6  2.8602 -  2.6917    0.93     1224   135  0.1863 0.2522        
REMARK   3     7  2.6917 -  2.5569    0.89     1205   133  0.1900 0.2579        
REMARK   3     8  2.5569 -  2.4456    0.88     1153   129  0.1928 0.2425        
REMARK   3     9  2.4456 -  2.3515    0.90     1197   131  0.1857 0.2925        
REMARK   3    10  2.3515 -  2.2703    0.89     1150   132  0.1864 0.2662        
REMARK   3    11  2.2703 -  2.1994    0.89     1164   133  0.2022 0.2755        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.10                                          
REMARK   3   SHRINKAGE RADIUS   : 0.83                                          
REMARK   3   K_SOL              : 0.35                                          
REMARK   3   B_SOL              : 40.39                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.250            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.300           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 28.36                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 33.47                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -3.32570                                             
REMARK   3    B22 (A**2) : -3.32570                                             
REMARK   3    B33 (A**2) : 6.65140                                              
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  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.007           1693                                  
REMARK   3   ANGLE     :  1.042           2289                                  
REMARK   3   CHIRALITY :  0.069            248                                  
REMARK   3   PLANARITY :  0.005            295                                  
REMARK   3   DIHEDRAL  : 12.846            642                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4GHU COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 15-AUG-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB074201.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 10-JAN-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 77                                 
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.000                              
REMARK 200  MONOCHROMATOR                  : SI(111)                            
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 16363                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.190                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 16.700                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.24                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MLPHARE                                               
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 60.99                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.15                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M HEPES, 10% PEG6000, 5%(V/V) 5-      
REMARK 280  METHYL-2,4-PENTANEDIOL, PH 7.5, VAPOR DIFFUSION, HANGING DROP,      
REMARK 280  TEMPERATURE 289K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 3 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z                                                
REMARK 290       3555   -X+Y,-X,Z                                               
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z                                               
REMARK 290       6555   -X,-X+Y,-Z                                              
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  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        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000        0.00000            
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: HEXAMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 11860 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 28690 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -65.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
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 350   BIOMT1   2 -0.500000 -0.866025  0.000000       41.74600            
REMARK 350   BIOMT2   2  0.866025 -0.500000  0.000000      -72.30619            
REMARK 350   BIOMT3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   3 -0.500000  0.866025  0.000000       83.49200            
REMARK 350   BIOMT2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 350   BIOMT3   3  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 614  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A 623  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A 633  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A 745  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     ASP A   566                                                      
REMARK 465     PRO A   567                                                      
REMARK 465     HIS A   568                                                      
REMARK 465     HIS A   569                                                      
REMARK 465     HIS A   570                                                      
REMARK 465     HIS A   571                                                      
REMARK 465     HIS A   572                                                      
REMARK 465     HIS A   573                                                      
REMARK 465     SER B   152                                                      
REMARK 465     PRO B   153                                                      
REMARK 465     VAL B   154                                                      
REMARK 465     GLU B   155                                                      
REMARK 465     ASN B   156                                                      
REMARK 465     SER B   157                                                      
REMARK 465     GLU B   158                                                      
REMARK 480                                                                      
REMARK 480 ZERO OCCUPANCY ATOM                                                  
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 480   M RES C SSEQI ATOMS                                                
REMARK 480     ARG A  505   CG   CD   NE                                        
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    SER B 139       40.47   -101.89                                   
REMARK 500    CYS B 140       55.25   -109.30                                   
REMARK 500    GLN B 148      -82.47     98.96                                   
REMARK 500    PRO B 150     -127.68    -68.43                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 GLN B  148     PRO B  149                 -149.45                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  4GHU A  376   567  UNP    Q60803   TRAF3_MOUSE    376    567             
DBREF  4GHU B  138   158  UNP    Q8VCF0   MAVS_MOUSE     138    158             
SEQADV 4GHU HIS A  568  UNP  Q60803              EXPRESSION TAG                 
SEQADV 4GHU HIS A  569  UNP  Q60803              EXPRESSION TAG                 
SEQADV 4GHU HIS A  570  UNP  Q60803              EXPRESSION TAG                 
SEQADV 4GHU HIS A  571  UNP  Q60803              EXPRESSION TAG                 
SEQADV 4GHU HIS A  572  UNP  Q60803              EXPRESSION TAG                 
SEQADV 4GHU HIS A  573  UNP  Q60803              EXPRESSION TAG                 
SEQRES   1 A  198  ASN THR GLY LEU LEU GLU SER GLN LEU SER ARG HIS ASP          
SEQRES   2 A  198  GLN MET LEU SER VAL HIS ASP ILE ARG LEU ALA ASP MET          
SEQRES   3 A  198  ASP LEU ARG PHE GLN VAL LEU GLU THR ALA SER TYR ASN          
SEQRES   4 A  198  GLY VAL LEU ILE TRP LYS ILE ARG ASP TYR LYS ARG ARG          
SEQRES   5 A  198  LYS GLN GLU ALA VAL MET GLY LYS THR LEU SER LEU TYR          
SEQRES   6 A  198  SER GLN PRO PHE TYR THR GLY TYR PHE GLY TYR LYS MET          
SEQRES   7 A  198  CYS ALA ARG VAL TYR LEU ASN GLY ASP GLY MET GLY LYS          
SEQRES   8 A  198  GLY THR HIS LEU SER LEU PHE PHE VAL ILE MET ARG GLY          
SEQRES   9 A  198  GLU TYR ASP ALA LEU LEU PRO TRP PRO PHE LYS GLN LYS          
SEQRES  10 A  198  VAL THR LEU MET LEU MET ASP GLN GLY SER SER ARG ARG          
SEQRES  11 A  198  HIS LEU GLY ASP ALA PHE LYS PRO ASP PRO ASN SER SER          
SEQRES  12 A  198  SER PHE LYS LYS PRO THR GLY GLU MET ASN ILE ALA SER          
SEQRES  13 A  198  GLY CYS PRO VAL PHE VAL ALA GLN THR VAL LEU GLU ASN          
SEQRES  14 A  198  GLY THR TYR ILE LYS ASP ASP THR ILE PHE ILE LYS VAL          
SEQRES  15 A  198  ILE VAL ASP THR SER ASP LEU PRO ASP PRO HIS HIS HIS          
SEQRES  16 A  198  HIS HIS HIS                                                  
SEQRES   1 B   21  PRO SER CYS PRO LYS PRO VAL GLN ASP THR GLN PRO PRO          
SEQRES   2 B   21  GLU SER PRO VAL GLU ASN SER GLU                              
FORMUL   3  HOH   *151(H2 O)                                                    
HELIX    1   1 ASN A  376  THR A  410  1                                  35    
HELIX    2   2 ASP A  423  MET A  433  1                                  11    
HELIX    3   3 ASP A  462  LYS A  466  5                                   5    
HELIX    4   4 TYR A  481  LEU A  485  5                                   5    
HELIX    5   5 SER A  517  LYS A  521  5                                   5    
HELIX    6   6 GLN A  539  GLY A  545  1                                   7    
SHEET    1   A 4 VAL A 416  ILE A 421  0                                        
SHEET    2   A 4 ILE A 553  VAL A 559 -1  O  ILE A 555   N  TRP A 419           
SHEET    3   A 4 VAL A 493  LEU A 497 -1  N  THR A 494   O  ILE A 558           
SHEET    4   A 4 LEU A 507  PHE A 511 -1  O  ASP A 509   N  LEU A 495           
SHEET    1   B 3 LEU A 439  TYR A 440  0                                        
SHEET    2   B 3 LYS A 452  TYR A 458 -1  O  VAL A 457   N  LEU A 439           
SHEET    3   B 3 PHE A 444  TYR A 445 -1  N  PHE A 444   O  MET A 453           
SHEET    1   C 5 LEU A 439  TYR A 440  0                                        
SHEET    2   C 5 LYS A 452  TYR A 458 -1  O  VAL A 457   N  LEU A 439           
SHEET    3   C 5 HIS A 469  MET A 477 -1  O  MET A 477   N  LYS A 452           
SHEET    4   C 5 SER A 531  ALA A 538 -1  O  SER A 531   N  PHE A 474           
SHEET    5   C 5 VAL B 144  GLN B 145 -1  O  VAL B 144   N  GLY A 532           
SSBOND   1 CYS A  533    CYS B  140                          1555   1555  2.06  
CISPEP   1 TRP A  487    PRO A  488          0         0.57                     
CISPEP   2 LEU A  564    PRO A  565          0        -2.08                     
CRYST1   83.492   83.492   78.125  90.00  90.00 120.00 P 3 2 1       6          
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      0.011977  0.006915  0.000000        0.00000                         
SCALE2      0.000000  0.013830  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.012800        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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