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Database: PDB
Entry: 3G9Q
LinkDB: 3G9Q
Original site: 3G9Q 
HEADER    TRANSPORT PROTEIN                       13-FEB-09   3G9Q              
TITLE     CRYSTAL STRUCTURE OF THE FHUD FOLD-FAMILY BSU3320, A PERIPLASMIC      
TITLE    2 BINDING PROTEIN COMPONENT OF A FEP/FEC-LIKE FERRICHROME ABC          
TITLE    3 TRANSPORTER FROM BACILLUS SUBTILIS. NORTHEAST STRUCTURAL GENOMICS    
TITLE    4 CONSORTIUM TARGET SR577A                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FERRICHROME-BINDING PROTEIN;                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 45-315;                                       
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS;              
SOURCE   3 ORGANISM_TAXID: 224308;                                              
SOURCE   4 STRAIN: 168;                                                         
SOURCE   5 GENE: BSU33320, FHUD;                                                
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC;                           
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET21                                     
KEYWDS    ALPHA-BETA PROTEIN, STRUCTURAL GENOMICS, PSI-2, PROTEIN STRUCTURE     
KEYWDS   2 INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG, CELL     
KEYWDS   3 MEMBRANE, ION TRANSPORT, IRON, IRON TRANSPORT, LIPOPROTEIN,          
KEYWDS   4 MEMBRANE, PALMITATE, TRANSPORT, TRANSPORT PROTEIN                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    F.FOROUHAR,H.NEELY,J.SEETHARAMAN,H.JANJUA,L.MAO,R.XIAO,C.CICCOSANTI,  
AUTHOR   2 E.L.FOOTE,D.LEE,R.NAIR,T.B.ACTON,B.ROST,G.T.MONTELIONE,L.TONG,       
AUTHOR   3 J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)             
REVDAT   3   01-NOV-17 3G9Q    1       REMARK                                   
REVDAT   2   13-JUL-11 3G9Q    1       VERSN                                    
REVDAT   1   03-MAR-09 3G9Q    0                                                
JRNL        AUTH   F.FOROUHAR,H.NEELY,J.SEETHARAMAN,H.JANJUA,L.MAO,R.XIAO,      
JRNL        AUTH 2 C.CICCOSANTI,E.L.FOOTE,D.LEE,R.NAIR,T.B.ACTON,B.ROST,        
JRNL        AUTH 3 G.T.MONTELIONE,L.TONG,J.F.HUNT                               
JRNL        TITL   CRYSTAL STRUCTURE OF THE FHUD FOLD-FAMILY BSU3320, A         
JRNL        TITL 2 PERIPLASMIC BINDING PROTEIN COMPONENT OF A FEP/FEC-LIKE      
JRNL        TITL 3 FERRICHROME ABC TRANSPORTER FROM BACILLUS SUBTILIS.          
JRNL        TITL 4 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR577A.      
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.2                                              
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) : 2.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.12                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 2.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 1160204.830                    
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 83.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 13992                          
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) : 0.222                           
REMARK   3   FREE R VALUE                     : 0.291                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 9.600                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1349                            
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           : 10                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.60                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.69                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 55.00                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 858                          
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3200                       
REMARK   3   BIN FREE R VALUE                    : 0.4630                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 8.80                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 83                           
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.051                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2021                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 31                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 34.80                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 59.30                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 28.87000                                             
REMARK   3    B22 (A**2) : -13.52000                                            
REMARK   3    B33 (A**2) : -15.36000                                            
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) : 0.36                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.45                            
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) : 0.57                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.63                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.009                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.300                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 22.80                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.790                           
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) : 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  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.30                                                 
REMARK   3   BSOL        : 21.14                                                
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: PROGRAM XTALVIEW HAS ALSO BEEN USED IN    
REMARK   3  REFINEMENT                                                          
REMARK   4                                                                      
REMARK   4 3G9Q COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-FEB-09.                  
REMARK 100 THE DEPOSITION ID IS D_1000051600.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 04-FEB-09                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : NSLS                               
REMARK 200  BEAMLINE                       : X4C                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97862                            
REMARK 200  MONOCHROMATOR                  : SI(111) CHANNEL                    
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MAR CCD 165 MM                     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 16199                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.6                               
REMARK 200  DATA REDUNDANCY                : 6.300                              
REMARK 200  R MERGE                    (I) : 0.07700                            
REMARK 200  R SYM                      (I) : 0.06900                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 25.8700                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.69                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 88.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 6.00                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.21400                            
REMARK 200  R SYM FOR SHELL            (I) : 0.19800                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.900                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: SNB, SOLVE, RESOLVE                                   
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 45.78                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.27                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN SOLUTION: 10 MM TRIS-HCL PH      
REMARK 280  7.5, 100 MM SODIUM CHLORIDE, 5 MM DTT. RESERVOIR SOLUTION: 20%      
REMARK 280  PEG 3350, 200 MM NANO3, VAPOR DIFFUSION, SITTING DROP,              
REMARK 280  TEMPERATURE 291K                                                    
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       17.75850            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       57.08450            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       34.94900            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       57.08450            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       17.75850            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       34.94900            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
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 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     TYR A    45                                                      
REMARK 465     LYS A    46                                                      
REMARK 465     ALA A    47                                                      
REMARK 465     GLU A    48                                                      
REMARK 465     ASN A    49                                                      
REMARK 465     GLY A    50                                                      
REMARK 465     ASN A    51                                                      
REMARK 465     VAL A    52                                                      
REMARK 465     LYS A    53                                                      
REMARK 465     GLN A   125                                                      
REMARK 465     GLY A   126                                                      
REMARK 465     GLY A   263                                                      
REMARK 465     GLY A   264                                                      
REMARK 465     ASP A   265                                                      
REMARK 465     ASP A   266                                                      
REMARK 465     HIS A   318                                                      
REMARK 465     HIS A   319                                                      
REMARK 465     HIS A   320                                                      
REMARK 465     HIS A   321                                                      
REMARK 465     HIS A   322                                                      
REMARK 465     HIS A   323                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     LYS A 226    CD   CE   NZ                                        
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    LYS A 131   CE    LYS A 131   NZ     -0.151                       
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    TYR A  92      -86.24   -101.78                                   
REMARK 500    LYS A  95       -7.11   -176.52                                   
REMARK 500    ASN A  97      -19.69   -149.69                                   
REMARK 500    VAL A  99       48.61   -105.32                                   
REMARK 500    ILE A 102     -145.72    -92.89                                   
REMARK 500    THR A 106      -50.09   -126.54                                   
REMARK 500    SER A 107       91.79    -52.24                                   
REMARK 500    ASN A 115       76.24     19.93                                   
REMARK 500    ASP A 147      -79.94    -46.52                                   
REMARK 500    ASN A 148      -46.96    176.65                                   
REMARK 500    ASN A 198       86.42   -156.26                                   
REMARK 500    PHE A 209       29.54   -150.06                                   
REMARK 500    ILE A 233      -82.27   -121.28                                   
REMARK 500    ASP A 234       11.03    -58.10                                   
REMARK 500    GLN A 235      -79.40   -146.29                                   
REMARK 500    ALA A 251      123.72    -39.89                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: SR577A   RELATED DB: TARGETDB                            
DBREF  3G9Q A   45   315  UNP    P37580   FHUD_BACSU      45    315             
SEQADV 3G9Q LEU A  316  UNP  P37580              EXPRESSION TAG                 
SEQADV 3G9Q GLU A  317  UNP  P37580              EXPRESSION TAG                 
SEQADV 3G9Q HIS A  318  UNP  P37580              EXPRESSION TAG                 
SEQADV 3G9Q HIS A  319  UNP  P37580              EXPRESSION TAG                 
SEQADV 3G9Q HIS A  320  UNP  P37580              EXPRESSION TAG                 
SEQADV 3G9Q HIS A  321  UNP  P37580              EXPRESSION TAG                 
SEQADV 3G9Q HIS A  322  UNP  P37580              EXPRESSION TAG                 
SEQADV 3G9Q HIS A  323  UNP  P37580              EXPRESSION TAG                 
SEQRES   1 A  279  TYR LYS ALA GLU ASN GLY ASN VAL LYS ILE PRO LYS HIS          
SEQRES   2 A  279  PRO LYS ARG VAL VAL VAL MSE ALA ASP GLY TYR TYR GLY          
SEQRES   3 A  279  TYR PHE LYS THR LEU GLY ILE ASN VAL VAL GLY ALA PRO          
SEQRES   4 A  279  GLU ASN VAL PHE LYS ASN PRO TYR TYR LYS GLY LYS THR          
SEQRES   5 A  279  ASN GLY VAL GLU ASN ILE GLY ASP GLY THR SER VAL GLU          
SEQRES   6 A  279  LYS VAL ILE ASP LEU ASN PRO ASP LEU ILE ILE VAL TRP          
SEQRES   7 A  279  THR THR GLN GLY ALA ASP ILE LYS LYS LEU GLU LYS ILE          
SEQRES   8 A  279  ALA PRO THR VAL ALA VAL LYS TYR ASP LYS LEU ASP ASN          
SEQRES   9 A  279  ILE GLU GLN LEU LYS GLU PHE ALA LYS MSE THR GLY THR          
SEQRES  10 A  279  GLU ASP LYS ALA GLU LYS TRP LEU ALA LYS TRP ASP LYS          
SEQRES  11 A  279  LYS VAL ALA ALA ALA LYS THR LYS ILE LYS LYS ALA VAL          
SEQRES  12 A  279  GLY ASP LYS THR ILE SER ILE MSE GLN THR ASN GLY LYS          
SEQRES  13 A  279  ASP ILE TYR VAL PHE GLY LYS ASP PHE GLY ARG GLY GLY          
SEQRES  14 A  279  SER ILE ILE TYR LYS ASP LEU GLY LEU GLN ALA THR LYS          
SEQRES  15 A  279  LEU THR LYS GLU LYS ALA ILE ASP GLN GLY PRO GLY TYR          
SEQRES  16 A  279  THR SER ILE SER LEU GLU LYS LEU PRO ASP PHE ALA GLY          
SEQRES  17 A  279  ASP TYR ILE PHE ALA GLY PRO TRP GLN SER GLY GLY ASP          
SEQRES  18 A  279  ASP GLY GLY VAL PHE GLU SER SER ILE TRP LYS ASN LEU          
SEQRES  19 A  279  ASN ALA VAL LYS ASN GLY HIS VAL TYR LYS MSE ASP PRO          
SEQRES  20 A  279  ILE GLY PHE TYR PHE THR ASP PRO ILE SER LEU GLU GLY          
SEQRES  21 A  279  GLN LEU GLU PHE ILE THR GLU SER LEU THR LYS LEU GLU          
SEQRES  22 A  279  HIS HIS HIS HIS HIS HIS                                      
MODRES 3G9Q MSE A   64  MET  SELENOMETHIONINE                                   
MODRES 3G9Q MSE A  158  MET  SELENOMETHIONINE                                   
MODRES 3G9Q MSE A  195  MET  SELENOMETHIONINE                                   
MODRES 3G9Q MSE A  289  MET  SELENOMETHIONINE                                   
HET    MSE  A  64       8                                                       
HET    MSE  A 158       8                                                       
HET    MSE  A 195       8                                                       
HET    MSE  A 289       8                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
FORMUL   1  MSE    4(C5 H11 N O2 SE)                                            
FORMUL   2  HOH   *31(H2 O)                                                     
HELIX    1   1 ALA A   65  GLY A   67  5                                   3    
HELIX    2   2 TYR A   68  GLY A   76  1                                   9    
HELIX    3   3 PRO A   83  LYS A   88  5                                   6    
HELIX    4   4 SER A  107  ASP A  113  1                                   7    
HELIX    5   5 ASP A  128  ALA A  136  1                                   9    
HELIX    6   6 ILE A  149  GLY A  160  1                                  12    
HELIX    7   7 THR A  161  GLY A  188  1                                  28    
HELIX    8   8 GLY A  212  LYS A  218  1                                   7    
HELIX    9   9 THR A  225  ILE A  233  1                                   9    
HELIX   10  10 LYS A  246  ALA A  251  1                                   6    
HELIX   11  11 SER A  272  ASN A  277  1                                   6    
HELIX   12  12 LEU A  278  ASN A  283  1                                   6    
HELIX   13  13 ILE A  292  PHE A  296  5                                   5    
HELIX   14  14 ASP A  298  LYS A  315  1                                  18    
SHEET    1   A 4 VAL A  79  GLY A  81  0                                        
SHEET    2   A 4 VAL A  61  VAL A  63  1  N  VAL A  61   O  VAL A  80           
SHEET    3   A 4 LEU A 118  TRP A 122  1  O  ILE A 120   N  VAL A  62           
SHEET    4   A 4 THR A 138  VAL A 141  1  O  VAL A 139   N  ILE A 119           
SHEET    1   B 5 TYR A 239  ILE A 242  0                                        
SHEET    2   B 5 ASP A 201  PHE A 205 -1  N  ILE A 202   O  ILE A 242           
SHEET    3   B 5 ILE A 192  ASN A 198 -1  N  GLN A 196   O  TYR A 203           
SHEET    4   B 5 TYR A 254  PRO A 259  1  O  TYR A 254   N  SER A 193           
SHEET    5   B 5 VAL A 286  LYS A 288  1  O  TYR A 287   N  ILE A 255           
LINK         C   VAL A  63                 N   MSE A  64     1555   1555  1.33  
LINK         C   MSE A  64                 N   ALA A  65     1555   1555  1.33  
LINK         C   LYS A 157                 N   MSE A 158     1555   1555  1.33  
LINK         C   MSE A 158                 N   THR A 159     1555   1555  1.33  
LINK         C   ILE A 194                 N   MSE A 195     1555   1555  1.33  
LINK         C   MSE A 195                 N   GLN A 196     1555   1555  1.33  
LINK         C   LYS A 288                 N   MSE A 289     1555   1555  1.33  
LINK         C   MSE A 289                 N   ASP A 290     1555   1555  1.32  
CRYST1   35.517   69.898  114.169  90.00  90.00  90.00 P 21 21 21    4          
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      0.028156  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.014307  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008759        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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