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Database: PDB
Entry: 1JI7
LinkDB: 1JI7
Original site: 1JI7 
HEADER    TRANSCRIPTION                           29-JUN-01   1JI7              
TITLE     CRYSTAL STRUCTURE OF TEL SAM POLYMER                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ETS-RELATED PROTEIN TEL1;                                  
COMPND   3 CHAIN: A, B, C;                                                      
COMPND   4 FRAGMENT: TEL SAM DOMAIN;                                            
COMPND   5 SYNONYM: TRANSCRIPTION FACTOR ETV6;                                  
COMPND   6 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: TEL;                                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) PLYSS;                           
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET                                       
KEYWDS    HELICAL POLYMER, TRANSCRIPTION                                        
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    C.A.KIM,M.L.PHILLIPS,W.KIM,M.GINGERY,H.H.TRAN,M.A.ROBINSON,           
AUTHOR   2 S.FAHAM,J.U.BOWIE                                                    
REVDAT   2   24-FEB-09 1JI7    1       VERSN                                    
REVDAT   1   03-JUL-02 1JI7    0                                                
JRNL        AUTH   C.A.KIM,M.L.PHILLIPS,W.KIM,M.GINGERY,H.H.TRAN,               
JRNL        AUTH 2 M.A.ROBINSON,S.FAHAM,J.U.BOWIE                               
JRNL        TITL   POLYMERIZATION OF THE SAM DOMAIN OF TEL IN                   
JRNL        TITL 2 LEUKEMOGENESIS AND TRANSCRIPTIONAL REPRESSION.               
JRNL        REF    EMBO J.                       V.  20  4173 2001              
JRNL        REFN                   ISSN 0261-4189                               
JRNL        PMID   11483520                                                     
JRNL        DOI    10.1093/EMBOJ/20.15.4173                                     
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.45 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.0                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,             
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.45                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 20.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 1312800.120                    
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 93.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 61824                          
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 SET) : 0.184                           
REMARK   3   FREE R VALUE                     : 0.195                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.100                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 6265                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.002                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 6                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.45                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.50                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 86.00                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 8566                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2098                       
REMARK   3   BIN FREE R VALUE                    : 0.2298                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 10.00                        
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 569                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2080                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 25                                      
REMARK   3   SOLVENT ATOMS            : 242                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 14.90                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 17.70                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.54000                                             
REMARK   3    B22 (A**2) : 3.51000                                              
REMARK   3    B33 (A**2) : -2.96000                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : -0.03000                                             
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.14                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.07                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.16                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.09                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.006                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.20                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 19.60                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.82                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 1.130 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 1.800 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 2.090 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 3.120 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.42                                                 
REMARK   3   BSOL        : 54.96                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1JI7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-JUL-01.                  
REMARK 100 THE RCSB ID CODE IS RCSB013801.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 10-APR-00                          
REMARK 200  TEMPERATURE           (KELVIN) : 103                                
REMARK 200  PH                             : 8.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : NSLS                               
REMARK 200  BEAMLINE                       : X8C                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.978803, 0.971349, 0.979018       
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 4                     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 139887                             
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.450                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 19.900                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.4                               
REMARK 200  DATA REDUNDANCY                : 1.800                              
REMARK 200  R MERGE                    (I) : 0.05700                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 12.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.45                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.51                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.2                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.28200                            
REMARK 200  R SYM FOR SHELL            (I) : 0.28200                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.600                              
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   (%): 56.96                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.86                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: LI2SO4, PH 8.0, VAPOR DIFFUSION,         
REMARK 280  HANGING DROP, TEMPERATURE 298K                                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
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+1/2,Y+1/2,Z                                           
REMARK 290       4555   -X+1/2,Y+1/2,-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 -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       66.43250            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       26.33900            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       66.43250            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       26.33900            
REMARK 290   SMTRY3   4  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: TRIMERIC                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C                               
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 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     ARG A    92                                                      
REMARK 465     ASP A    93                                                      
REMARK 465     HIS A    94                                                      
REMARK 465     HIS A    95                                                      
REMARK 465     HIS A    96                                                      
REMARK 465     HIS A    97                                                      
REMARK 465     HIS A    98                                                      
REMARK 465     HIS A    99                                                      
REMARK 465     HIS A   100                                                      
REMARK 465     ARG A   101                                                      
REMARK 465     HIS A   102                                                      
REMARK 465     ASP A   103                                                      
REMARK 465     ARG B    92                                                      
REMARK 465     ASP B    93                                                      
REMARK 465     HIS B    94                                                      
REMARK 465     HIS B    95                                                      
REMARK 465     HIS B    96                                                      
REMARK 465     HIS B    97                                                      
REMARK 465     HIS B    98                                                      
REMARK 465     HIS B    99                                                      
REMARK 465     HIS B   100                                                      
REMARK 465     ARG B   101                                                      
REMARK 465     HIS B   102                                                      
REMARK 465     ASP B   103                                                      
REMARK 465     HIS C   100                                                      
REMARK 465     ARG C   101                                                      
REMARK 465     HIS C   102                                                      
REMARK 465     ASP C   103                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER;            
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     SER A  15    OG                                                  
REMARK 470     ARG A  17    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A  90    CG   CD   CE   NZ                                   
REMARK 470     LYS B  90    CG   CD   CE   NZ                                   
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    PHE B  55       73.96   -114.74                                   
REMARK 500    SER B  77       -2.70   -144.50                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1001                
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 1002                
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 1003                
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 C 1004                
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 C 1005                
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1BQV   RELATED DB: PDB                                   
REMARK 900 ETS1 POINTED DOMAIN                                                  
DBREF  1JI7 A   15    91  UNP    P41212   ETV6_HUMAN      47    123             
DBREF  1JI7 B   15    91  UNP    P41212   ETV6_HUMAN      47    123             
DBREF  1JI7 C   15    91  UNP    P41212   ETV6_HUMAN      47    123             
SEQADV 1JI7 MSE A   57  UNP  P41212    MET    89 MODIFIED RESIDUE               
SEQADV 1JI7 GLU A   80  UNP  P41212    VAL   112 CONFLICT                       
SEQADV 1JI7 ARG A   92  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 ASP A   93  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS A   94  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS A   95  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS A   96  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS A   97  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS A   98  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS A   99  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS A  100  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 ARG A  101  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS A  102  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 ASP A  103  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 MSE B   57  UNP  P41212    MET    89 MODIFIED RESIDUE               
SEQADV 1JI7 GLU B   80  UNP  P41212    VAL   112 CONFLICT                       
SEQADV 1JI7 ARG B   92  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 ASP B   93  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS B   94  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS B   95  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS B   96  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS B   97  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS B   98  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS B   99  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS B  100  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 ARG B  101  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS B  102  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 ASP B  103  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 MSE C   57  UNP  P41212    MET    89 MODIFIED RESIDUE               
SEQADV 1JI7 GLU C   80  UNP  P41212    VAL   112 CONFLICT                       
SEQADV 1JI7 ARG C   92  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 ASP C   93  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS C   94  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS C   95  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS C   96  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS C   97  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS C   98  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS C   99  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS C  100  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 ARG C  101  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 HIS C  102  UNP  P41212              HIS-TAG                        
SEQADV 1JI7 ASP C  103  UNP  P41212              HIS-TAG                        
SEQRES   1 A   89  SER ILE ARG LEU PRO ALA HIS LEU ARG LEU GLN PRO ILE          
SEQRES   2 A   89  TYR TRP SER ARG ASP ASP VAL ALA GLN TRP LEU LYS TRP          
SEQRES   3 A   89  ALA GLU ASN GLU PHE SER LEU ARG PRO ILE ASP SER ASN          
SEQRES   4 A   89  THR PHE GLU MSE ASN GLY LYS ALA LEU LEU LEU LEU THR          
SEQRES   5 A   89  LYS GLU ASP PHE ARG TYR ARG SER PRO HIS SER GLY ASP          
SEQRES   6 A   89  GLU LEU TYR GLU LEU LEU GLN HIS ILE LEU LYS GLN ARG          
SEQRES   7 A   89  ASP HIS HIS HIS HIS HIS HIS HIS ARG HIS ASP                  
SEQRES   1 B   89  SER ILE ARG LEU PRO ALA HIS LEU ARG LEU GLN PRO ILE          
SEQRES   2 B   89  TYR TRP SER ARG ASP ASP VAL ALA GLN TRP LEU LYS TRP          
SEQRES   3 B   89  ALA GLU ASN GLU PHE SER LEU ARG PRO ILE ASP SER ASN          
SEQRES   4 B   89  THR PHE GLU MSE ASN GLY LYS ALA LEU LEU LEU LEU THR          
SEQRES   5 B   89  LYS GLU ASP PHE ARG TYR ARG SER PRO HIS SER GLY ASP          
SEQRES   6 B   89  GLU LEU TYR GLU LEU LEU GLN HIS ILE LEU LYS GLN ARG          
SEQRES   7 B   89  ASP HIS HIS HIS HIS HIS HIS HIS ARG HIS ASP                  
SEQRES   1 C   89  SER ILE ARG LEU PRO ALA HIS LEU ARG LEU GLN PRO ILE          
SEQRES   2 C   89  TYR TRP SER ARG ASP ASP VAL ALA GLN TRP LEU LYS TRP          
SEQRES   3 C   89  ALA GLU ASN GLU PHE SER LEU ARG PRO ILE ASP SER ASN          
SEQRES   4 C   89  THR PHE GLU MSE ASN GLY LYS ALA LEU LEU LEU LEU THR          
SEQRES   5 C   89  LYS GLU ASP PHE ARG TYR ARG SER PRO HIS SER GLY ASP          
SEQRES   6 C   89  GLU LEU TYR GLU LEU LEU GLN HIS ILE LEU LYS GLN ARG          
SEQRES   7 C   89  ASP HIS HIS HIS HIS HIS HIS HIS ARG HIS ASP                  
MODRES 1JI7 MSE A   57  MET  SELENOMETHIONINE                                   
MODRES 1JI7 MSE B   57  MET  SELENOMETHIONINE                                   
MODRES 1JI7 MSE C   57  MET  SELENOMETHIONINE                                   
HET    MSE  A  57       8                                                       
HET    MSE  B  57       8                                                       
HET    MSE  C  57       8                                                       
HET    SO4  A1001       5                                                       
HET    SO4  B1002       5                                                       
HET    SO4  B1003       5                                                       
HET    SO4  C1004       5                                                       
HET    SO4  C1005       5                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
HETNAM     SO4 SULFATE ION                                                      
FORMUL   1  MSE    3(C5 H11 N O2 SE)                                            
FORMUL   4  SO4    5(O4 S 2-)                                                   
FORMUL   9  HOH   *242(H2 O)                                                    
HELIX    1   1 PRO A   19  ARG A   23  5                                   5    
HELIX    2   2 GLN A   25  TRP A   29  5                                   5    
HELIX    3   3 SER A   30  PHE A   45  1                                  16    
HELIX    4   4 ASN A   58  LEU A   63  1                                   6    
HELIX    5   5 THR A   66  SER A   74  1                                   9    
HELIX    6   6 SER A   77  GLN A   91  1                                  15    
HELIX    7   7 PRO B   19  ARG B   23  5                                   5    
HELIX    8   8 GLN B   25  TRP B   29  5                                   5    
HELIX    9   9 SER B   30  SER B   46  1                                  17    
HELIX   10  10 ASP B   51  GLU B   56  5                                   6    
HELIX   11  11 ASN B   58  LEU B   63  1                                   6    
HELIX   12  12 THR B   66  SER B   74  1                                   9    
HELIX   13  13 SER B   77  GLN B   91  1                                  15    
HELIX   14  14 PRO C   19  ARG C   23  5                                   5    
HELIX   15  15 GLN C   25  TRP C   29  5                                   5    
HELIX   16  16 SER C   30  PHE C   45  1                                  16    
HELIX   17  17 ASN C   58  LEU C   63  1                                   6    
HELIX   18  18 THR C   66  SER C   74  1                                   9    
HELIX   19  19 SER C   77  HIS C   98  1                                  22    
LINK         C   GLU A  56                 N   MSE A  57     1555   1555  1.33  
LINK         C   MSE A  57                 N   ASN A  58     1555   1555  1.33  
LINK         C   GLU B  56                 N   MSE B  57     1555   1555  1.33  
LINK         C   MSE B  57                 N   ASN B  58     1555   1555  1.33  
LINK         C   GLU C  56                 N   MSE C  57     1555   1555  1.33  
LINK         C   MSE C  57                 N   ASN C  58     1555   1555  1.33  
SITE     1 AC1  5 ARG A  48  HIS A  76  HOH A1064  HOH A1066                    
SITE     2 AC1  5 ASN C  53                                                     
SITE     1 AC2  6 SER B  30  ARG B  31  ASN B  58  HOH B1009                    
SITE     2 AC2  6 HOH B1043  HOH B1073                                          
SITE     1 AC3  8 THR B  66  GLU B  68  ASP B  69  HOH B1011                    
SITE     2 AC3  8 HOH B1062  LYS C  67  HOH C1020  HOH C1032                    
SITE     1 AC4  7 ILE A  50  ASP A  51  SER A  52  PRO C  19                    
SITE     2 AC4  7 ALA C  20  ARG C  23  HOH C1066                               
SITE     1 AC5  9 ARG A  48  LEU C  24  GLN C  25  TYR C  28                    
SITE     2 AC5  9 ARG C  31  ARG C  92  HIS C  96  HOH C1021                    
SITE     3 AC5  9 HOH C1073                                                     
CRYST1  132.865   52.678   58.701  90.00 113.90  90.00 C 1 2 1      12          
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      0.007526  0.000000  0.003335        0.00000                         
SCALE2      0.000000  0.018983  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.018633        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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