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Database: PDB
Entry: 1GAO
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Original site: 1GAO 
HEADER    ELECTRON TRANSPORT                      30-NOV-00   1GAO              
TITLE     CRYSTAL STRUCTURE OF THE L44S MUTANT OF FERREDOXIN I                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FERREDOXIN I;                                              
COMPND   3 CHAIN: A, B, C, D                                                    
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII;                         
SOURCE   3 ORGANISM_TAXID: 354                                                  
KEYWDS    IRON-SULFUR CLUSTERS, FERREDOXIN, ELECTRON TRANSPORT                  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    C.D.STOUT,B.K.BURGESS,G.S.PRASAD,V.SRIDHAR,Y.S.JUNG                   
REVDAT   5   04-OCT-17 1GAO    1       REMARK                                   
REVDAT   4   31-MAR-09 1GAO    1       ATOM   CONECT                            
REVDAT   3   24-FEB-09 1GAO    1       VERSN                                    
REVDAT   2   18-JAN-05 1GAO    1       JRNL   REMARK CONECT MASTER              
REVDAT   1   13-DEC-00 1GAO    0                                                
JRNL        AUTH   K.CHEN,Y.S.JUNG,C.A.BONAGURA,G.J.TILLEY,G.S.PRASAD,          
JRNL        AUTH 2 V.SRIDHAR,F.A.ARMSTRONG,C.D.STOUT,B.K.BURGESS                
JRNL        TITL   AZOTOBACTER VINELANDII FERREDOXIN I: A SEQUENCE AND          
JRNL        TITL 2 STRUCTURE COMPARISON APPROACH TO ALTERATION OF [4FE-4S]2+/+  
JRNL        TITL 3 REDUCTION POTENTIAL.                                         
JRNL        REF    J.BIOL.CHEM.                  V. 277  5603 2002              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   11704670                                                     
JRNL        DOI    10.1074/JBC.M108916200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.851                                         
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 50.00                          
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)   (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : 30953                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
REMARK   3   FREE R VALUE TEST SET SELECTION  : 3% OF DATA                      
REMARK   3   R VALUE            (WORKING SET) : 0.243                           
REMARK   3   FREE R VALUE                     : 0.286                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : 928                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
REMARK   3   BIN FREE R VALUE                    : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
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            : 3356                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 60                                      
REMARK   3   SOLVENT ATOMS            : 257                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 44.40                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.015                           
REMARK   3   BOND ANGLES            (DEGREES) : 2.700                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : ISOTROPIC                                 
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
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 1GAO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-DEC-00.                  
REMARK 100 THE DEPOSITION ID IS D_1000012432.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 17-NOV-00                          
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRL                               
REMARK 200  BEAMLINE                       : BL7-1                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.08                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : SSRL BEAM LINE 7-1                 
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : MOSFLM                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 30964                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.200                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 93.3                               
REMARK 200  DATA REDUNDANCY                : 1.800                              
REMARK 200  R MERGE                    (I) : 0.13600                            
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) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
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: AMORE                                                 
REMARK 200 STARTING MODEL: 7FD1                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 64.36                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.45                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULFATE, LITHIUM SULFATE,       
REMARK 280  TRIS BUFFER, PH 7.5, VAPOR DIFFUSION, TEMPERATURE 277K              
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       65.40000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       42.80000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       65.40000            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       42.80000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3, 4                                              
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 350                                                                      
REMARK 350 BIOMOLECULE: 4                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D                                     
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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    HIS A  35   NE2   HIS A  35   CD2    -0.068                       
REMARK 500    HIS A 103   NE2   HIS A 103   CD2    -0.075                       
REMARK 500    HIS C 435   NE2   HIS C 435   CD2    -0.067                       
REMARK 500    HIS C 503   NE2   HIS C 503   CD2    -0.075                       
REMARK 500    HIS D 635   NE2   HIS D 635   CD2    -0.074                       
REMARK 500    HIS D 703   NE2   HIS D 703   CD2    -0.068                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    TRP A  78   CD1 -  CG  -  CD2 ANGL. DEV. =   5.6 DEGREES          
REMARK 500    TRP A  78   CE2 -  CD2 -  CG  ANGL. DEV. =  -5.4 DEGREES          
REMARK 500    TRP A  94   CD1 -  CG  -  CD2 ANGL. DEV. =   5.9 DEGREES          
REMARK 500    TRP A  94   CE2 -  CD2 -  CG  ANGL. DEV. =  -5.3 DEGREES          
REMARK 500    TRP B 278   CD1 -  CG  -  CD2 ANGL. DEV. =   6.0 DEGREES          
REMARK 500    TRP B 278   CE2 -  CD2 -  CG  ANGL. DEV. =  -5.7 DEGREES          
REMARK 500    TRP B 294   CD1 -  CG  -  CD2 ANGL. DEV. =   6.7 DEGREES          
REMARK 500    TRP B 294   CE2 -  CD2 -  CG  ANGL. DEV. =  -6.0 DEGREES          
REMARK 500    VAL C 419   N   -  CA  -  CB  ANGL. DEV. = -16.8 DEGREES          
REMARK 500    TRP C 478   CD1 -  CG  -  CD2 ANGL. DEV. =   6.2 DEGREES          
REMARK 500    TRP C 478   CE2 -  CD2 -  CG  ANGL. DEV. =  -5.7 DEGREES          
REMARK 500    TRP C 494   CD1 -  CG  -  CD2 ANGL. DEV. =   6.3 DEGREES          
REMARK 500    TRP C 494   CE2 -  CD2 -  CG  ANGL. DEV. =  -5.5 DEGREES          
REMARK 500    TRP C 494   CG  -  CD2 -  CE3 ANGL. DEV. =   5.5 DEGREES          
REMARK 500    ARG C 506   NE  -  CZ  -  NH2 ANGL. DEV. =   3.6 DEGREES          
REMARK 500    TRP D 678   CD1 -  CG  -  CD2 ANGL. DEV. =   5.5 DEGREES          
REMARK 500    TRP D 678   CE2 -  CD2 -  CG  ANGL. DEV. =  -5.6 DEGREES          
REMARK 500    TRP D 694   CD1 -  CG  -  CD2 ANGL. DEV. =   6.1 DEGREES          
REMARK 500    TRP D 694   CE2 -  CD2 -  CG  ANGL. DEV. =  -6.0 DEGREES          
REMARK 500    ASP D 695   CB  -  CG  -  OD1 ANGL. DEV. =  -5.5 DEGREES          
REMARK 500    ARG D 706   NE  -  CZ  -  NH1 ANGL. DEV. =  -5.4 DEGREES          
REMARK 500    ARG D 706   NE  -  CZ  -  NH2 ANGL. DEV. =   3.1 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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    LYS A  12       63.32     38.71                                   
REMARK 500    LYS B 210        8.34     59.37                                   
REMARK 500    ALA B 243       17.78     53.58                                   
REMARK 500    GLN B 252       41.54     31.62                                   
REMARK 500    LYS C 410        9.77     59.98                                   
REMARK 500    THR C 414        8.85     54.38                                   
REMARK 500    GLN C 452       47.14     39.76                                   
REMARK 500    ASP C 490       47.72   -108.14                                   
REMARK 500    THR D 605     -160.99   -100.66                                   
REMARK 500    CYS D 611      -67.66   -105.53                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    TYR A  26         0.07    SIDE CHAIN                              
REMARK 500    TYR D 626         0.07    SIDE CHAIN                              
REMARK 500    ARG D 706         0.07    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S A 108  FE3                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A   8   SG                                                     
REMARK 620 2 F3S A 108   S1  112.3                                              
REMARK 620 3 F3S A 108   S3  115.9 104.4                                        
REMARK 620 4 F3S A 108   S4  112.6 104.5 106.1                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S A 108  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  16   SG                                                     
REMARK 620 2 F3S A 108   S1  112.7                                              
REMARK 620 3 F3S A 108   S2  110.6 111.1                                        
REMARK 620 4 F3S A 108   S3  114.7 103.3 103.9                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A 107  FE4                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  20   SG                                                     
REMARK 620 2 SF4 A 107   S1  108.4                                              
REMARK 620 3 SF4 A 107   S2  121.5 105.1                                        
REMARK 620 4 SF4 A 107   S3  112.2 104.1 104.0                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A 107  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  39   SG                                                     
REMARK 620 2 SF4 A 107   S2  115.2                                              
REMARK 620 3 SF4 A 107   S3  118.3 103.4                                        
REMARK 620 4 SF4 A 107   S4  108.6 105.3 104.7                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A 107  FE2                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  42   SG                                                     
REMARK 620 2 SF4 A 107   S1  106.7                                              
REMARK 620 3 SF4 A 107   S3  118.7 104.2                                        
REMARK 620 4 SF4 A 107   S4  117.0 104.7 104.0                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 A 107  FE3                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  45   SG                                                     
REMARK 620 2 SF4 A 107   S1  113.8                                              
REMARK 620 3 SF4 A 107   S2  120.9 103.9                                        
REMARK 620 4 SF4 A 107   S4  106.1 106.1 105.0                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S A 108  FE4                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  49   SG                                                     
REMARK 620 2 F3S A 108   S2  117.5                                              
REMARK 620 3 F3S A 108   S3  113.6 103.4                                        
REMARK 620 4 F3S A 108   S4  112.5 102.7 105.9                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S B 308  FE3                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS B 208   SG                                                     
REMARK 620 2 F3S B 308   S1  115.8                                              
REMARK 620 3 F3S B 308   S3  113.1 103.7                                        
REMARK 620 4 F3S B 308   S4  112.6 104.8 105.8                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S B 308  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS B 216   SG                                                     
REMARK 620 2 F3S B 308   S1  116.3                                              
REMARK 620 3 F3S B 308   S2  109.4 105.2                                        
REMARK 620 4 F3S B 308   S3  116.8 103.5 104.3                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 B 307  FE4                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS B 220   SG                                                     
REMARK 620 2 SF4 B 307   S1  103.1                                              
REMARK 620 3 SF4 B 307   S2  121.7 105.1                                        
REMARK 620 4 SF4 B 307   S3  116.1 105.1 104.0                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 B 307  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS B 239   SG                                                     
REMARK 620 2 SF4 B 307   S2  111.4                                              
REMARK 620 3 SF4 B 307   S3  116.3 104.7                                        
REMARK 620 4 SF4 B 307   S4  113.9 104.8 104.7                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 B 307  FE2                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS B 242   SG                                                     
REMARK 620 2 SF4 B 307   S1  107.4                                              
REMARK 620 3 SF4 B 307   S3  116.3 104.5                                        
REMARK 620 4 SF4 B 307   S4  119.4 104.2 103.6                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 B 307  FE3                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS B 245   SG                                                     
REMARK 620 2 SF4 B 307   S1  114.6                                              
REMARK 620 3 SF4 B 307   S2  115.0 105.0                                        
REMARK 620 4 SF4 B 307   S4  111.4 106.4 103.4                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S B 308  FE4                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS B 249   SG                                                     
REMARK 620 2 F3S B 308   S2  114.7                                              
REMARK 620 3 F3S B 308   S3  109.2 106.0                                        
REMARK 620 4 F3S B 308   S4  115.5 105.7 104.9                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S C 508  FE3                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS C 408   SG                                                     
REMARK 620 2 F3S C 508   S1  113.0                                              
REMARK 620 3 F3S C 508   S3  116.0 103.7                                        
REMARK 620 4 F3S C 508   S4  113.5 104.7 104.7                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S C 508  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS C 416   SG                                                     
REMARK 620 2 F3S C 508   S1  119.4                                              
REMARK 620 3 F3S C 508   S2  108.4 104.7                                        
REMARK 620 4 F3S C 508   S3  114.2 103.8 105.2                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 C 507  FE4                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS C 420   SG                                                     
REMARK 620 2 SF4 C 507   S1  104.7                                              
REMARK 620 3 SF4 C 507   S2  119.7 104.6                                        
REMARK 620 4 SF4 C 507   S3  117.6 104.9 103.7                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 C 507  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS C 439   SG                                                     
REMARK 620 2 SF4 C 507   S2  113.9                                              
REMARK 620 3 SF4 C 507   S3  117.8 104.7                                        
REMARK 620 4 SF4 C 507   S4  109.4 105.3 104.6                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 C 507  FE2                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS C 442   SG                                                     
REMARK 620 2 SF4 C 507   S1  101.4                                              
REMARK 620 3 SF4 C 507   S3  120.0 105.1                                        
REMARK 620 4 SF4 C 507   S4  120.7 103.8 103.6                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 C 507  FE3                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS C 445   SG                                                     
REMARK 620 2 SF4 C 507   S1  113.2                                              
REMARK 620 3 SF4 C 507   S2  122.3 105.1                                        
REMARK 620 4 SF4 C 507   S4  106.5 103.6 104.2                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S C 508  FE4                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS C 449   SG                                                     
REMARK 620 2 F3S C 508   S2  115.0                                              
REMARK 620 3 F3S C 508   S3  108.3 106.0                                        
REMARK 620 4 F3S C 508   S4  117.2 104.9 104.4                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S D 708  FE3                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS D 608   SG                                                     
REMARK 620 2 F3S D 708   S1  111.6                                              
REMARK 620 3 F3S D 708   S3  118.5 104.9                                        
REMARK 620 4 F3S D 708   S4  110.2 106.1 104.5                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S D 708  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS D 616   SG                                                     
REMARK 620 2 F3S D 708   S1  115.9                                              
REMARK 620 3 F3S D 708   S2  108.1 109.6                                        
REMARK 620 4 F3S D 708   S3  114.3 103.9 104.4                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 D 707  FE4                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS D 620   SG                                                     
REMARK 620 2 SF4 D 707   S1  109.6                                              
REMARK 620 3 SF4 D 707   S2  116.9 104.2                                        
REMARK 620 4 SF4 D 707   S3  116.4 104.8 103.6                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 D 707  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS D 639   SG                                                     
REMARK 620 2 SF4 D 707   S2  116.0                                              
REMARK 620 3 SF4 D 707   S3  119.2 103.7                                        
REMARK 620 4 SF4 D 707   S4  107.5 104.4 104.7                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 D 707  FE2                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS D 642   SG                                                     
REMARK 620 2 SF4 D 707   S1  100.6                                              
REMARK 620 3 SF4 D 707   S3  120.9 104.0                                        
REMARK 620 4 SF4 D 707   S4  119.2 105.0 104.9                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             SF4 D 707  FE3                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS D 645   SG                                                     
REMARK 620 2 SF4 D 707   S1  114.4                                              
REMARK 620 3 SF4 D 707   S2  118.7 104.0                                        
REMARK 620 4 SF4 D 707   S4  108.1 104.9 105.5                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             F3S D 708  FE4                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS D 649   SG                                                     
REMARK 620 2 F3S D 708   S2  116.1                                              
REMARK 620 3 F3S D 708   S3  113.7 104.6                                        
REMARK 620 4 F3S D 708   S4  113.3 104.1 103.8                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SF4 A 107                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE F3S A 108                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SF4 B 307                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE F3S B 308                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SF4 C 507                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE F3S C 508                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SF4 D 707                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE F3S D 708                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 7FD1   RELATED DB: PDB                                   
REMARK 900 NATIVE FERREDOXIN I STRUCTURE                                        
DBREF  1GAO A    1   106  UNP    P00214   FER1_AZOVI       1    106             
DBREF  1GAO B  201   306  UNP    P00214   FER1_AZOVI       1    106             
DBREF  1GAO C  401   506  UNP    P00214   FER1_AZOVI       1    106             
DBREF  1GAO D  601   706  UNP    P00214   FER1_AZOVI       1    106             
SEQADV 1GAO SER A   44  UNP  P00214    LEU    44 ENGINEERED                     
SEQADV 1GAO SER B  244  UNP  P00214    LEU    44 ENGINEERED                     
SEQADV 1GAO SER C  444  UNP  P00214    LEU    44 ENGINEERED                     
SEQADV 1GAO SER D  644  UNP  P00214    LEU    44 ENGINEERED                     
SEQRES   1 A  106  ALA PHE VAL VAL THR ASP ASN CYS ILE LYS CYS LYS TYR          
SEQRES   2 A  106  THR ASP CYS VAL GLU VAL CYS PRO VAL ASP CYS PHE TYR          
SEQRES   3 A  106  GLU GLY PRO ASN PHE LEU VAL ILE HIS PRO ASP GLU CYS          
SEQRES   4 A  106  ILE ASP CYS ALA SER CYS GLU PRO GLU CYS PRO ALA GLN          
SEQRES   5 A  106  ALA ILE PHE SER GLU ASP GLU VAL PRO GLU ASP MET GLN          
SEQRES   6 A  106  GLU PHE ILE GLN LEU ASN ALA GLU LEU ALA GLU VAL TRP          
SEQRES   7 A  106  PRO ASN ILE THR GLU LYS LYS ASP PRO LEU PRO ASP ALA          
SEQRES   8 A  106  GLU ASP TRP ASP GLY VAL LYS GLY LYS LEU GLN HIS LEU          
SEQRES   9 A  106  GLU ARG                                                      
SEQRES   1 B  106  ALA PHE VAL VAL THR ASP ASN CYS ILE LYS CYS LYS TYR          
SEQRES   2 B  106  THR ASP CYS VAL GLU VAL CYS PRO VAL ASP CYS PHE TYR          
SEQRES   3 B  106  GLU GLY PRO ASN PHE LEU VAL ILE HIS PRO ASP GLU CYS          
SEQRES   4 B  106  ILE ASP CYS ALA SER CYS GLU PRO GLU CYS PRO ALA GLN          
SEQRES   5 B  106  ALA ILE PHE SER GLU ASP GLU VAL PRO GLU ASP MET GLN          
SEQRES   6 B  106  GLU PHE ILE GLN LEU ASN ALA GLU LEU ALA GLU VAL TRP          
SEQRES   7 B  106  PRO ASN ILE THR GLU LYS LYS ASP PRO LEU PRO ASP ALA          
SEQRES   8 B  106  GLU ASP TRP ASP GLY VAL LYS GLY LYS LEU GLN HIS LEU          
SEQRES   9 B  106  GLU ARG                                                      
SEQRES   1 C  106  ALA PHE VAL VAL THR ASP ASN CYS ILE LYS CYS LYS TYR          
SEQRES   2 C  106  THR ASP CYS VAL GLU VAL CYS PRO VAL ASP CYS PHE TYR          
SEQRES   3 C  106  GLU GLY PRO ASN PHE LEU VAL ILE HIS PRO ASP GLU CYS          
SEQRES   4 C  106  ILE ASP CYS ALA SER CYS GLU PRO GLU CYS PRO ALA GLN          
SEQRES   5 C  106  ALA ILE PHE SER GLU ASP GLU VAL PRO GLU ASP MET GLN          
SEQRES   6 C  106  GLU PHE ILE GLN LEU ASN ALA GLU LEU ALA GLU VAL TRP          
SEQRES   7 C  106  PRO ASN ILE THR GLU LYS LYS ASP PRO LEU PRO ASP ALA          
SEQRES   8 C  106  GLU ASP TRP ASP GLY VAL LYS GLY LYS LEU GLN HIS LEU          
SEQRES   9 C  106  GLU ARG                                                      
SEQRES   1 D  106  ALA PHE VAL VAL THR ASP ASN CYS ILE LYS CYS LYS TYR          
SEQRES   2 D  106  THR ASP CYS VAL GLU VAL CYS PRO VAL ASP CYS PHE TYR          
SEQRES   3 D  106  GLU GLY PRO ASN PHE LEU VAL ILE HIS PRO ASP GLU CYS          
SEQRES   4 D  106  ILE ASP CYS ALA SER CYS GLU PRO GLU CYS PRO ALA GLN          
SEQRES   5 D  106  ALA ILE PHE SER GLU ASP GLU VAL PRO GLU ASP MET GLN          
SEQRES   6 D  106  GLU PHE ILE GLN LEU ASN ALA GLU LEU ALA GLU VAL TRP          
SEQRES   7 D  106  PRO ASN ILE THR GLU LYS LYS ASP PRO LEU PRO ASP ALA          
SEQRES   8 D  106  GLU ASP TRP ASP GLY VAL LYS GLY LYS LEU GLN HIS LEU          
SEQRES   9 D  106  GLU ARG                                                      
HET    SF4  A 107       8                                                       
HET    F3S  A 108       7                                                       
HET    SF4  B 307       8                                                       
HET    F3S  B 308       7                                                       
HET    SF4  C 507       8                                                       
HET    F3S  C 508       7                                                       
HET    SF4  D 707       8                                                       
HET    F3S  D 708       7                                                       
HETNAM     SF4 IRON/SULFUR CLUSTER                                              
HETNAM     F3S FE3-S4 CLUSTER                                                   
FORMUL   5  SF4    4(FE4 S4)                                                    
FORMUL   6  F3S    4(FE3 S4)                                                    
FORMUL  13  HOH   *257(H2 O)                                                    
HELIX    1   1 ASP A    6  ILE A    9  5                                   4    
HELIX    2   2 ASP A   15  VAL A   19  5                                   5    
HELIX    3   3 SER A   44  CYS A   49  1                                   6    
HELIX    4   4 ASP A   58  VAL A   60  5                                   3    
HELIX    5   5 PRO A   61  MET A   64  5                                   4    
HELIX    6   6 GLN A   65  GLU A   76  1                                  12    
HELIX    7   7 ASP A   90  ASP A   95  1                                   6    
HELIX    8   8 GLY A   99  LEU A  104  5                                   6    
HELIX    9   9 ASP B  206  ILE B  209  5                                   4    
HELIX   10  10 THR B  214  CYS B  220  5                                   7    
HELIX   11  11 ASP B  258  VAL B  260  5                                   3    
HELIX   12  12 PRO B  261  MET B  264  5                                   4    
HELIX   13  13 GLN B  265  GLU B  276  1                                  12    
HELIX   14  14 ASP B  290  ASP B  295  1                                   6    
HELIX   15  15 GLY B  299  LEU B  304  5                                   6    
HELIX   16  16 ASP C  406  ILE C  409  5                                   4    
HELIX   17  17 THR C  414  CYS C  420  5                                   7    
HELIX   18  18 SER C  444  CYS C  449  1                                   6    
HELIX   19  19 ASP C  458  VAL C  460  5                                   3    
HELIX   20  20 PRO C  461  MET C  464  5                                   4    
HELIX   21  21 GLN C  465  TRP C  478  1                                  14    
HELIX   22  22 ASP C  490  ASP C  495  1                                   6    
HELIX   23  23 GLY C  499  LEU C  504  5                                   6    
HELIX   24  24 ASP D  606  ILE D  609  5                                   4    
HELIX   25  25 THR D  614  VAL D  619  5                                   6    
HELIX   26  26 ASP D  658  VAL D  660  5                                   3    
HELIX   27  27 PRO D  661  GLN D  665  5                                   5    
HELIX   28  28 GLU D  666  TRP D  678  1                                  13    
HELIX   29  29 ASP D  690  ASP D  695  1                                   6    
HELIX   30  30 GLY D  699  LEU D  704  5                                   6    
SHEET    1   A 2 PHE A   2  VAL A   4  0                                        
SHEET    2   A 2 ILE A  54  SER A  56 -1  N  PHE A  55   O  VAL A   3           
SHEET    1   B 2 PHE A  25  GLU A  27  0                                        
SHEET    2   B 2 LEU A  32  ILE A  34 -1  O  VAL A  33   N  TYR A  26           
SHEET    1   C 2 PHE B 202  VAL B 204  0                                        
SHEET    2   C 2 ILE B 254  SER B 256 -1  O  PHE B 255   N  VAL B 203           
SHEET    1   D 2 PHE B 225  GLU B 227  0                                        
SHEET    2   D 2 LEU B 232  ILE B 234 -1  O  VAL B 233   N  TYR B 226           
SHEET    1   E 2 PHE C 402  VAL C 404  0                                        
SHEET    2   E 2 ILE C 454  SER C 456 -1  O  PHE C 455   N  VAL C 403           
SHEET    1   F 2 PHE C 425  GLU C 427  0                                        
SHEET    2   F 2 LEU C 432  ILE C 434 -1  O  VAL C 433   N  TYR C 426           
SHEET    1   G 2 PHE D 602  VAL D 604  0                                        
SHEET    2   G 2 ILE D 654  SER D 656 -1  O  PHE D 655   N  VAL D 603           
SHEET    1   H 2 PHE D 625  GLU D 627  0                                        
SHEET    2   H 2 LEU D 632  ILE D 634 -1  O  VAL D 633   N  TYR D 626           
LINK         SG  CYS A   8                FE3  F3S A 108     1555   1555  2.28  
LINK         SG  CYS A  16                FE1  F3S A 108     1555   1555  2.32  
LINK         SG  CYS A  20                FE4  SF4 A 107     1555   1555  2.32  
LINK         SG  CYS A  39                FE1  SF4 A 107     1555   1555  2.30  
LINK         SG  CYS A  42                FE2  SF4 A 107     1555   1555  2.27  
LINK         SG  CYS A  45                FE3  SF4 A 107     1555   1555  2.29  
LINK         SG  CYS A  49                FE4  F3S A 108     1555   1555  2.26  
LINK         SG  CYS B 208                FE3  F3S B 308     1555   1555  2.27  
LINK         SG  CYS B 216                FE1  F3S B 308     1555   1555  2.30  
LINK         SG  CYS B 220                FE4  SF4 B 307     1555   1555  2.29  
LINK         SG  CYS B 239                FE1  SF4 B 307     1555   1555  2.30  
LINK         SG  CYS B 242                FE2  SF4 B 307     1555   1555  2.30  
LINK         SG  CYS B 245                FE3  SF4 B 307     1555   1555  2.31  
LINK         SG  CYS B 249                FE4  F3S B 308     1555   1555  2.31  
LINK         SG  CYS C 408                FE3  F3S C 508     1555   1555  2.30  
LINK         SG  CYS C 416                FE1  F3S C 508     1555   1555  2.30  
LINK         SG  CYS C 420                FE4  SF4 C 507     1555   1555  2.31  
LINK         SG  CYS C 439                FE1  SF4 C 507     1555   1555  2.26  
LINK         SG  CYS C 442                FE2  SF4 C 507     1555   1555  2.28  
LINK         SG  CYS C 445                FE3  SF4 C 507     1555   1555  2.31  
LINK         SG  CYS C 449                FE4  F3S C 508     1555   1555  2.30  
LINK         SG  CYS D 608                FE3  F3S D 708     1555   1555  2.28  
LINK         SG  CYS D 616                FE1  F3S D 708     1555   1555  2.32  
LINK         SG  CYS D 620                FE4  SF4 D 707     1555   1555  2.28  
LINK         SG  CYS D 639                FE1  SF4 D 707     1555   1555  2.33  
LINK         SG  CYS D 642                FE2  SF4 D 707     1555   1555  2.27  
LINK         SG  CYS D 645                FE3  SF4 D 707     1555   1555  2.30  
LINK         SG  CYS D 649                FE4  F3S D 708     1555   1555  2.26  
SITE     1 AC1 11 PHE A   2  CYS A  20  PRO A  21  VAL A  22                    
SITE     2 AC1 11 CYS A  24  ILE A  34  CYS A  39  ILE A  40                    
SITE     3 AC1 11 CYS A  42  ALA A  43  CYS A  45                               
SITE     1 AC2 11 VAL A   4  CYS A   8  LYS A  12  TYR A  13                    
SITE     2 AC2 11 THR A  14  ASP A  15  CYS A  16  LEU A  32                    
SITE     3 AC2 11 CYS A  49  ALA A  51  ILE A  54                               
SITE     1 AC3  9 CYS B 220  CYS B 224  PHE B 225  ILE B 234                    
SITE     2 AC3  9 CYS B 239  ILE B 240  CYS B 242  ALA B 243                    
SITE     3 AC3  9 CYS B 245                                                     
SITE     1 AC4  7 CYS B 208  LYS B 212  TYR B 213  THR B 214                    
SITE     2 AC4  7 ASP B 215  CYS B 216  CYS B 249                               
SITE     1 AC5  9 PHE C 402  CYS C 420  CYS C 424  ILE C 434                    
SITE     2 AC5  9 CYS C 439  ILE C 440  CYS C 442  ALA C 443                    
SITE     3 AC5  9 CYS C 445                                                     
SITE     1 AC6 10 CYS C 408  LYS C 412  TYR C 413  THR C 414                    
SITE     2 AC6 10 ASP C 415  CYS C 416  CYS C 449  PRO C 450                    
SITE     3 AC6 10 ALA C 451  ILE C 454                                          
SITE     1 AC7 11 PHE D 602  CYS D 620  VAL D 622  CYS D 624                    
SITE     2 AC7 11 PHE D 625  ILE D 634  CYS D 639  ILE D 640                    
SITE     3 AC7 11 CYS D 642  ALA D 643  CYS D 645                               
SITE     1 AC8  8 CYS D 608  LYS D 612  TYR D 613  THR D 614                    
SITE     2 AC8  8 ASP D 615  CYS D 616  CYS D 649  ILE D 654                    
CRYST1  130.800   85.600   67.200  90.00 117.90  90.00 C 1 2 1      16          
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      0.007645  0.000000  0.004048        0.00000                         
SCALE2      0.000000  0.011682  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.016838        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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