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Database: PDB
Entry: 1ETV
LinkDB: 1ETV
Original site: 1ETV 
HEADER    TRANSCRIPTION ACTIVATOR                 13-APR-00   1ETV              
TITLE     THE CRYSTAL STRUCTURE OF E. COLI FIS MUTANT G72A                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FACTOR FOR INVERSION STIMULATION;                          
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: FIS;                                                        
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
SOURCE   3 ORGANISM_TAXID: 562;                                                 
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (-FIS);                               
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET11A                                    
KEYWDS    TRANSCRIPTIONAL ACTIVATION REGION, DNA-BINDING PROTEIN, TRANSCRIPTION 
KEYWDS   2 ACTIVATOR                                                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Y.S.CHENG,W.Z.YANG,R.C.JOHNSON,H.S.YUAN                               
REVDAT   5   07-FEB-24 1ETV    1       REMARK                                   
REVDAT   4   03-NOV-21 1ETV    1       SEQADV                                   
REVDAT   3   24-FEB-09 1ETV    1       VERSN                                    
REVDAT   2   01-APR-03 1ETV    1       JRNL                                     
REVDAT   1   11-OCT-00 1ETV    0                                                
JRNL        AUTH   Y.S.CHENG,W.Z.YANG,R.C.JOHNSON,H.S.YUAN                      
JRNL        TITL   STRUCTURAL ANALYSIS OF THE TRANSCRIPTIONAL ACTIVATION ON     
JRNL        TITL 2 FIS: CRYSTAL STRUCTURES OF SIX FIS MUTANTS WITH DIFFERENT    
JRNL        TITL 3 ACTIVATION PROPERTIES.                                       
JRNL        REF    J.MOL.BIOL.                   V. 302  1139 2000              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   11183780                                                     
JRNL        DOI    10.1006/JMBI.2000.4123                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 0.9                                              
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) : 2.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.57                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 96.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 12664                          
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) : 0.223                           
REMARK   3   FREE R VALUE                     : 0.263                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 8.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1007                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.008                           
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) : 2.00                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.13                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 92.70                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 1841                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2320                       
REMARK   3   BIN FREE R VALUE                    : 0.2730                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 6.90                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 136                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.023                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1249                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 96                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 17.40                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 28.90                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.50000                                              
REMARK   3    B22 (A**2) : -3.20000                                             
REMARK   3    B33 (A**2) : 2.70000                                              
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 COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.24                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.14                            
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) : 0.30                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.13                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.008                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.003                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 18.40                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.760                           
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) : 1.170 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 1.940 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 1.890 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 2.980 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.38                                                 
REMARK   3   BSOL        : 56.52                                                
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  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  3  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : WATER.TOP                                      
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1ETV COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-APR-00.                  
REMARK 100 THE DEPOSITION ID IS D_1000010882.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 14-OCT-97                          
REMARK 200  TEMPERATURE           (KELVIN) : 120                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU RU300                       
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS II                    
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 13105                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.000                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 40.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.3                               
REMARK 200  DATA REDUNDANCY                : 4.710                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.07400                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 23.3000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.07                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.2                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.57                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.43600                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
REMARK 200 SOFTWARE USED: X-PLOR                                                
REMARK 200 STARTING MODEL: THE WILD-TYPE FIS                                    
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 40.20                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.10                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 15 MG/ML PROTEIN, 0.5 M SODIUM           
REMARK 280  CHLORIDE, 0.05 M NA-HEPES (PH 7.5), 15% PEG4000, VAPOR DIFFUSION,   
REMARK 280  HANGING DROP, TEMPERATURE 298K                                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
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       39.14500            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       23.63000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       25.18500            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       23.63000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       39.14500            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       25.18500            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300  THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT            
REMARK 300 WHICH CONSISTS OF 2 CHAINS THAT GIVE ONE BIOLOGICAL                  
REMARK 300 DIMER MOLECULE.                                                      
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4230 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 8620 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -38.0 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 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400 MUTATION AT BC TURN AT THE TRANSCRIPTIONAL ACTIVATION REGION.        
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     MET A     1                                                      
REMARK 465     PHE A     2                                                      
REMARK 465     GLU A     3                                                      
REMARK 465     GLN A     4                                                      
REMARK 465     ARG A     5                                                      
REMARK 465     VAL A     6                                                      
REMARK 465     ASN A     7                                                      
REMARK 465     SER A     8                                                      
REMARK 465     SER A    14                                                      
REMARK 465     THR A    15                                                      
REMARK 465     VAL A    16                                                      
REMARK 465     ASN A    17                                                      
REMARK 465     SER A    18                                                      
REMARK 465     GLN A    19                                                      
REMARK 465     ASP A    20                                                      
REMARK 465     GLN A    21                                                      
REMARK 465     VAL A    22                                                      
REMARK 465     THR A    23                                                      
REMARK 465     GLN A    24                                                      
REMARK 465     ASN A    43                                                      
REMARK 465     GLY A    44                                                      
REMARK 465     GLN A    45                                                      
REMARK 465     ASP A    46                                                      
REMARK 465     MET B     1                                                      
REMARK 465     PHE B     2                                                      
REMARK 465     GLU B     3                                                      
REMARK 465     GLN B     4                                                      
REMARK 465     SER B    14                                                      
REMARK 465     THR B    15                                                      
REMARK 465     VAL B    16                                                      
REMARK 465     ASN B    17                                                      
REMARK 465     SER B    18                                                      
REMARK 465     GLN B    19                                                      
REMARK 465     ASP B    20                                                      
REMARK 465     GLN B    21                                                      
REMARK 465     VAL B    22                                                      
REMARK 465     THR B    23                                                      
REMARK 465     GLN B    24                                                      
REMARK 465     LEU B    42                                                      
REMARK 465     ASN B    43                                                      
REMARK 465     GLY B    44                                                      
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    ASN A  48       15.56   -142.47                                   
REMARK 500    ALA B  40       -4.91    -54.32                                   
REMARK 500    ASN B  48       15.50   -145.38                                   
REMARK 500    ASP B  49       29.97   -145.49                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3FIS   RELATED DB: PDB                                   
REMARK 900 3FIS CONTAINS THE WILD-TYPE FIS                                      
REMARK 900 RELATED ID: 1FIP   RELATED DB: PDB                                   
REMARK 900 1FIP CONTAINS THE FIS MUTANT P61A                                    
REMARK 900 RELATED ID: 1F36   RELATED DB: PDB                                   
REMARK 900 1F36 CONTAINS THE FIS MUTANT K36E                                    
REMARK 900 RELATED ID: 1ETK   RELATED DB: PDB                                   
REMARK 900 1ETK CONTAINS THE FIS MUTANT Q68A                                    
REMARK 900 RELATED ID: 1ETO   RELATED DB: PDB                                   
REMARK 900 1ETO CONTAINS THE FIS MUTANT R71L                                    
REMARK 900 RELATED ID: 1ETQ   RELATED DB: PDB                                   
REMARK 900 1ETQ CONTAINS THE FIS MUTANT R71Y                                    
REMARK 900 RELATED ID: 1ETW   RELATED DB: PDB                                   
REMARK 900 1ETW CONTAINS THE FIS MUTANT G72D                                    
REMARK 900 RELATED ID: 1ETX   RELATED DB: PDB                                   
REMARK 900 1ETX CONTAINS THE FIS MUTANT Q74A                                    
REMARK 900 RELATED ID: 1ETY   RELATED DB: PDB                                   
REMARK 900 1ETY CONTAINS THE FIS WILD TYPE                                      
DBREF  1ETV A    1    98  UNP    P0A6R3   FIS_ECOLI        1     98             
DBREF  1ETV B    1    98  UNP    P0A6R3   FIS_ECOLI        1     98             
SEQADV 1ETV ALA A   72  UNP  P0A6R3    GLY    72 ENGINEERED MUTATION            
SEQADV 1ETV ALA B   72  UNP  P0A6R3    GLY    72 ENGINEERED MUTATION            
SEQRES   1 A   98  MET PHE GLU GLN ARG VAL ASN SER ASP VAL LEU THR VAL          
SEQRES   2 A   98  SER THR VAL ASN SER GLN ASP GLN VAL THR GLN LYS PRO          
SEQRES   3 A   98  LEU ARG ASP SER VAL LYS GLN ALA LEU LYS ASN TYR PHE          
SEQRES   4 A   98  ALA GLN LEU ASN GLY GLN ASP VAL ASN ASP LEU TYR GLU          
SEQRES   5 A   98  LEU VAL LEU ALA GLU VAL GLU GLN PRO LEU LEU ASP MET          
SEQRES   6 A   98  VAL MET GLN TYR THR ARG ALA ASN GLN THR ARG ALA ALA          
SEQRES   7 A   98  LEU MET MET GLY ILE ASN ARG GLY THR LEU ARG LYS LYS          
SEQRES   8 A   98  LEU LYS LYS TYR GLY MET ASN                                  
SEQRES   1 B   98  MET PHE GLU GLN ARG VAL ASN SER ASP VAL LEU THR VAL          
SEQRES   2 B   98  SER THR VAL ASN SER GLN ASP GLN VAL THR GLN LYS PRO          
SEQRES   3 B   98  LEU ARG ASP SER VAL LYS GLN ALA LEU LYS ASN TYR PHE          
SEQRES   4 B   98  ALA GLN LEU ASN GLY GLN ASP VAL ASN ASP LEU TYR GLU          
SEQRES   5 B   98  LEU VAL LEU ALA GLU VAL GLU GLN PRO LEU LEU ASP MET          
SEQRES   6 B   98  VAL MET GLN TYR THR ARG ALA ASN GLN THR ARG ALA ALA          
SEQRES   7 B   98  LEU MET MET GLY ILE ASN ARG GLY THR LEU ARG LYS LYS          
SEQRES   8 B   98  LEU LYS LYS TYR GLY MET ASN                                  
FORMUL   3  HOH   *96(H2 O)                                                     
HELIX    1   1 PRO A   26  GLN A   41  1                                  16    
HELIX    2   2 ASP A   49  THR A   70  1                                  22    
HELIX    3   3 ASN A   73  GLY A   82  1                                  10    
HELIX    4   4 ASN A   84  TYR A   95  1                                  12    
HELIX    5   5 PRO B   26  ALA B   40  1                                  15    
HELIX    6   6 ASP B   49  THR B   70  1                                  22    
HELIX    7   7 ASN B   73  GLY B   82  1                                  10    
HELIX    8   8 ASN B   84  TYR B   95  1                                  12    
CRYST1   78.290   50.370   47.260  90.00  90.00  90.00 P 21 21 21    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      0.012773  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.019853  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.021160        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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