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Database: PDB
Entry: 5ZT7
LinkDB: 5ZT7
Original site: 5ZT7 
HEADER    BIOSYNTHETIC PROTEIN                    02-MAY-18   5ZT7              
TITLE     SIRB FROM BACILLUS SUBTILIS WITH CO2+                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SIROHYDROCHLORIN FERROCHELATASE;                           
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 EC: 4.99.1.4;                                                        
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS (STRAIN 168);                 
SOURCE   3 ORGANISM_TAXID: 224308;                                              
SOURCE   4 STRAIN: 168;                                                         
SOURCE   5 GENE: SIRB, YLNE, BSU15620;                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: C41(DE3)                                   
KEYWDS    CHELATASE, BIOSYNTHETIC PROTEIN                                       
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    T.FUJISHIRO                                                           
REVDAT   5   04-MAR-20 5ZT7    1       REMARK                                   
REVDAT   4   20-NOV-19 5ZT7    1       LINK                                     
REVDAT   3   22-MAY-19 5ZT7    1       JRNL                                     
REVDAT   2   06-MAR-19 5ZT7    1       JRNL                                     
REVDAT   1   27-FEB-19 5ZT7    0                                                
JRNL        AUTH   T.FUJISHIRO,Y.SHIMADA,R.NAKAMURA,M.OOI                       
JRNL        TITL   STRUCTURE OF SIROHYDROCHLORIN FERROCHELATASE SIRB: THE LAST  
JRNL        TITL 2 OF THE STRUCTURES OF THE CLASS II CHELATASE FAMILY.          
JRNL        REF    DALTON TRANS                  V.  48  6083 2019              
JRNL        REFN                   ESSN 1477-9234                               
JRNL        PMID   30778451                                                     
JRNL        DOI    10.1039/C8DT04727H                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.94 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.13_2998                                     
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.94                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 36.85                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.360                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 10154                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.247                           
REMARK   3   R VALUE            (WORKING SET) : 0.246                           
REMARK   3   FREE R VALUE                     : 0.276                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.980                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 506                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 36.8483 -  4.6646    1.00     2459   129  0.2127 0.2377        
REMARK   3     2  4.6646 -  3.7036    1.00     2414   127  0.2464 0.2711        
REMARK   3     3  3.7036 -  3.2357    1.00     2383   124  0.2947 0.3528        
REMARK   3     4  3.2357 -  2.9400    1.00     2392   126  0.3245 0.3471        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.500            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 31.180           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 83.47                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 88.71                          
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  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :   NULL           NULL                                  
REMARK   3   ANGLE     :   NULL           NULL                                  
REMARK   3   CHIRALITY :   NULL           NULL                                  
REMARK   3   PLANARITY :   NULL           NULL                                  
REMARK   3   DIHEDRAL  :   NULL           NULL                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : 1                                           
REMARK   3   NCS GROUP : 1                                                      
REMARK   3    NCS OPERATOR : 1                                                  
REMARK   3     REFERENCE SELECTION: (CHAIN A AND RESID 2 THROUGH 251)           
REMARK   3     SELECTION          : (CHAIN B AND RESID 2 THROUGH 251)           
REMARK   3     ATOM PAIRS NUMBER  : 2372                                        
REMARK   3     RMSD               : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5ZT7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 10-MAY-18.                  
REMARK 100 THE DEPOSITION ID IS D_1300007613.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 06-NOV-16                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : PHOTON FACTORY                     
REMARK 200  BEAMLINE                       : BL-5A                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0, 1.60518, 1.60612, 1.56556     
REMARK 200  MONOCHROMATOR                  : NUMERICAL LINK TYPE SI(111)        
REMARK 200                                   DOUBLE CRYSTAL MONOCHROMATOR,      
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 2M                
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 10156                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.940                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 36.845                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.3                               
REMARK 200  DATA REDUNDANCY                : 3.427                              
REMARK 200  R MERGE                    (I) : 0.10000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 9.1400                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.94                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.04                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.2                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.48                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.94400                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.280                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: MAD                                            
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD                          
REMARK 200 SOFTWARE USED: SHARP                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 37.13                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.10                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M LITHIUM ACETATE, 20% (W/V) PEG     
REMARK 280  3350, 10 MM COBALT CHLROIDE, PH 7.0, VAPOR DIFFUSION, SITTING       
REMARK 280  DROP, TEMPERATURE 293K                                              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,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       26.04500            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A   -11                                                      
REMARK 465     GLY A   -10                                                      
REMARK 465     SER A    -9                                                      
REMARK 465     SER A    -8                                                      
REMARK 465     HIS A    -7                                                      
REMARK 465     HIS A    -6                                                      
REMARK 465     HIS A    -5                                                      
REMARK 465     HIS A    -4                                                      
REMARK 465     HIS A    -3                                                      
REMARK 465     HIS A    -2                                                      
REMARK 465     SER A    -1                                                      
REMARK 465     SER A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     TYR A   256                                                      
REMARK 465     ALA A   257                                                      
REMARK 465     SER A   258                                                      
REMARK 465     ALA A   259                                                      
REMARK 465     ALA A   260                                                      
REMARK 465     HIS A   261                                                      
REMARK 465     MET B   -11                                                      
REMARK 465     GLY B   -10                                                      
REMARK 465     SER B    -9                                                      
REMARK 465     SER B    -8                                                      
REMARK 465     HIS B    -7                                                      
REMARK 465     HIS B    -6                                                      
REMARK 465     HIS B    -5                                                      
REMARK 465     HIS B    -4                                                      
REMARK 465     HIS B    -3                                                      
REMARK 465     HIS B    -2                                                      
REMARK 465     SER B    -1                                                      
REMARK 465     ASP B   252                                                      
REMARK 465     GLY B   253                                                      
REMARK 465     GLY B   254                                                      
REMARK 465     SER B   255                                                      
REMARK 465     TYR B   256                                                      
REMARK 465     ALA B   257                                                      
REMARK 465     SER B   258                                                      
REMARK 465     ALA B   259                                                      
REMARK 465     ALA B   260                                                      
REMARK 465     HIS B   261                                                      
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    GLU A 154   CA  -  CB  -  CG  ANGL. DEV. = -14.2 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    LEU A  44       -5.81     67.62                                   
REMARK 500    ALA A  74     -148.95   -148.24                                   
REMARK 500    HIS A  79      -61.36   -130.57                                   
REMARK 500    ALA A 168      -37.51     75.46                                   
REMARK 500    ASP A 183       84.63     79.93                                   
REMARK 500    ASN A 217       41.84    -89.46                                   
REMARK 500    LEU B  44       -4.22     69.55                                   
REMARK 500    ALA B  74     -146.72   -148.43                                   
REMARK 500    HIS B  79      -59.34   -132.00                                   
REMARK 500    ALA B 168      -36.53     76.48                                   
REMARK 500    ASP B 183       93.62     73.39                                   
REMARK 500    ASN B 217       42.92    -91.40                                   
REMARK 500    PHE B 226       53.46    -90.48                                   
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                              CO A 304  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A  10   NE2                                                    
REMARK 620 2 HIS A  76   NE2  95.4                                              
REMARK 620 3 HOH A 404   O    75.9  79.2                                        
REMARK 620 N                    1     2                                         
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CO A 301  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A  31   NE2                                                    
REMARK 620 2 LYS A 231   NZ   88.3                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CO A 302  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A  79   NE2                                                    
REMARK 620 2 GLU A  83   OE1  92.6                                              
REMARK 620 3 HOH A 407   O    86.0 146.5                                        
REMARK 620 N                    1     2                                         
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CO A 303  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A 115   NE2                                                    
REMARK 620 2 HIS A 229   NE2  86.9                                              
REMARK 620 3 HOH A 406   O   107.0  83.6                                        
REMARK 620 4 HOH A 405   O    74.9 103.5 172.8                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CO B 305  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS B  10   NE2                                                    
REMARK 620 2 GLU B  43   OE1  96.0                                              
REMARK 620 3 HIS B  76   NE2  88.1 106.3                                        
REMARK 620 4 HOH B 401   O    69.0 156.2  92.0                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CO B 303  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS B  79   NE2                                                    
REMARK 620 2 GLU B  83   OE2  69.2                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CO B 304  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS B 115   NE2                                                    
REMARK 620 2 HIS B 229   NE2  90.2                                              
REMARK 620 3 HOH B 421   O   152.4 104.7                                        
REMARK 620 4 HOH B 412   O   104.2  90.8  98.9                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CO B 302  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS B 214   NE2                                                    
REMARK 620 2 HOH B 417   O    86.4                                              
REMARK 620 3 HOH B 423   O   125.0 133.9                                        
REMARK 620 4 HOH B 409   O    73.2 112.3 109.1                                  
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 CO A 301                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CO A 302                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CO A 303                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CO A 304                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CO B 301                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CO B 302                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CO B 303                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CO B 304                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CO B 305                  
DBREF  5ZT7 A    1   261  UNP    O34632   SIRB_BACSU       1    261             
DBREF  5ZT7 B    1   261  UNP    O34632   SIRB_BACSU       1    261             
SEQADV 5ZT7 MET A  -11  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 GLY A  -10  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 SER A   -9  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 SER A   -8  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 HIS A   -7  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 HIS A   -6  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 HIS A   -5  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 HIS A   -4  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 HIS A   -3  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 HIS A   -2  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 SER A   -1  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 SER A    0  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 MET B  -11  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 GLY B  -10  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 SER B   -9  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 SER B   -8  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 HIS B   -7  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 HIS B   -6  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 HIS B   -5  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 HIS B   -4  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 HIS B   -3  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 HIS B   -2  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 SER B   -1  UNP  O34632              EXPRESSION TAG                 
SEQADV 5ZT7 SER B    0  UNP  O34632              EXPRESSION TAG                 
SEQRES   1 A  273  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER MET          
SEQRES   2 A  273  LYS GLN ALA ILE LEU TYR VAL GLY HIS GLY SER ARG VAL          
SEQRES   3 A  273  LYS LYS ALA GLN GLN GLU ALA ALA ALA PHE LEU GLU GLY          
SEQRES   4 A  273  CYS LYS ALA HIS ILE SER VAL PRO VAL GLN GLU ILE SER          
SEQRES   5 A  273  PHE LEU GLU LEU GLN GLU PRO THR ILE GLU THR GLY PHE          
SEQRES   6 A  273  GLU ALA CYS VAL LYS GLN GLY ALA THR HIS ILE ALA VAL          
SEQRES   7 A  273  VAL PRO LEU LEU LEU LEU THR ALA ALA HIS ALA LYS HIS          
SEQRES   8 A  273  ASP ILE PRO GLU GLU ILE VAL ARG VAL ALA SER ARG TYR          
SEQRES   9 A  273  PRO SER VAL ARG ILE SER TYR GLY LYS PRO ILE GLY ILE          
SEQRES  10 A  273  ASP GLU GLU VAL VAL LYS ALA VAL TYR HIS ARG MET LYS          
SEQRES  11 A  273  ASP ILE GLY VAL PRO TYR GLU ASN ALA ARG VAL VAL LEU          
SEQRES  12 A  273  ILE GLY ARG GLY SER SER ASP PRO ASP VAL LYS ARG ASP          
SEQRES  13 A  273  VAL THR GLY ILE ALA ASN LEU LEU GLN GLU MET VAL PRO          
SEQRES  14 A  273  VAL LYS GLU VAL ILE PRO CYS PHE LEU THR ALA CYS GLY          
SEQRES  15 A  273  PRO ASN TYR LYS GLU VAL PHE SER GLU LEU GLU LYS ASP          
SEQRES  16 A  273  ASP GLY ILE THR THR PHE ILE VAL PRO TYR LEU LEU PHE          
SEQRES  17 A  273  THR GLY MET LEU MET ASN GLU ILE GLU ARG GLU VAL GLN          
SEQRES  18 A  273  LYS LEU LYS ALA HIS ASN PRO ASN VAL TYR LEU SER SER          
SEQRES  19 A  273  TYR ILE GLY PHE HIS PRO HIS VAL LYS ASN ALA PHE LEU          
SEQRES  20 A  273  ASN ARG VAL ARG GLU THR ALA ALA ASN SER GLU GLY GLN          
SEQRES  21 A  273  PHE ASP PHE ASP GLY GLY SER TYR ALA SER ALA ALA HIS          
SEQRES   1 B  273  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER MET          
SEQRES   2 B  273  LYS GLN ALA ILE LEU TYR VAL GLY HIS GLY SER ARG VAL          
SEQRES   3 B  273  LYS LYS ALA GLN GLN GLU ALA ALA ALA PHE LEU GLU GLY          
SEQRES   4 B  273  CYS LYS ALA HIS ILE SER VAL PRO VAL GLN GLU ILE SER          
SEQRES   5 B  273  PHE LEU GLU LEU GLN GLU PRO THR ILE GLU THR GLY PHE          
SEQRES   6 B  273  GLU ALA CYS VAL LYS GLN GLY ALA THR HIS ILE ALA VAL          
SEQRES   7 B  273  VAL PRO LEU LEU LEU LEU THR ALA ALA HIS ALA LYS HIS          
SEQRES   8 B  273  ASP ILE PRO GLU GLU ILE VAL ARG VAL ALA SER ARG TYR          
SEQRES   9 B  273  PRO SER VAL ARG ILE SER TYR GLY LYS PRO ILE GLY ILE          
SEQRES  10 B  273  ASP GLU GLU VAL VAL LYS ALA VAL TYR HIS ARG MET LYS          
SEQRES  11 B  273  ASP ILE GLY VAL PRO TYR GLU ASN ALA ARG VAL VAL LEU          
SEQRES  12 B  273  ILE GLY ARG GLY SER SER ASP PRO ASP VAL LYS ARG ASP          
SEQRES  13 B  273  VAL THR GLY ILE ALA ASN LEU LEU GLN GLU MET VAL PRO          
SEQRES  14 B  273  VAL LYS GLU VAL ILE PRO CYS PHE LEU THR ALA CYS GLY          
SEQRES  15 B  273  PRO ASN TYR LYS GLU VAL PHE SER GLU LEU GLU LYS ASP          
SEQRES  16 B  273  ASP GLY ILE THR THR PHE ILE VAL PRO TYR LEU LEU PHE          
SEQRES  17 B  273  THR GLY MET LEU MET ASN GLU ILE GLU ARG GLU VAL GLN          
SEQRES  18 B  273  LYS LEU LYS ALA HIS ASN PRO ASN VAL TYR LEU SER SER          
SEQRES  19 B  273  TYR ILE GLY PHE HIS PRO HIS VAL LYS ASN ALA PHE LEU          
SEQRES  20 B  273  ASN ARG VAL ARG GLU THR ALA ALA ASN SER GLU GLY GLN          
SEQRES  21 B  273  PHE ASP PHE ASP GLY GLY SER TYR ALA SER ALA ALA HIS          
HET     CO  A 301       1                                                       
HET     CO  A 302       1                                                       
HET     CO  A 303       1                                                       
HET     CO  A 304       1                                                       
HET     CO  B 301       1                                                       
HET     CO  B 302       1                                                       
HET     CO  B 303       1                                                       
HET     CO  B 304       1                                                       
HET     CO  B 305       1                                                       
HETNAM      CO COBALT (II) ION                                                  
FORMUL   3   CO    9(CO 2+)                                                     
FORMUL  12  HOH   *31(H2 O)                                                     
HELIX    1 AA1 VAL A   14  ALA A   30  1                                  17    
HELIX    2 AA2 THR A   48  GLN A   59  1                                  12    
HELIX    3 AA3 ALA A   74  HIS A   79  1                                   6    
HELIX    4 AA4 HIS A   79  SER A   90  1                                  12    
HELIX    5 AA5 ASP A  106  ASP A  119  1                                  14    
HELIX    6 AA6 ASP A  138  VAL A  156  1                                  19    
HELIX    7 AA7 ASN A  172  LEU A  180  1                                   9    
HELIX    8 AA8 GLY A  198  ALA A  213  1                                  16    
HELIX    9 AA9 HIS A  227  ASN A  244  1                                  18    
HELIX   10 AB1 VAL B   14  ALA B   30  1                                  17    
HELIX   11 AB2 THR B   48  GLN B   59  1                                  12    
HELIX   12 AB3 ALA B   74  HIS B   79  1                                   6    
HELIX   13 AB4 HIS B   79  SER B   90  1                                  12    
HELIX   14 AB5 ASP B  106  ASP B  119  1                                  14    
HELIX   15 AB6 ASP B  138  VAL B  156  1                                  19    
HELIX   16 AB7 ASN B  172  LEU B  180  1                                   9    
HELIX   17 AB8 GLY B  198  ALA B  213  1                                  16    
HELIX   18 AB9 HIS B  227  ASN B  244  1                                  18    
SHEET    1 AA1 4 VAL A  36  PHE A  41  0                                        
SHEET    2 AA1 4 GLN A   3  GLY A   9  1  N  GLY A   9   O  SER A  40           
SHEET    3 AA1 4 HIS A  63  LEU A  69  1  O  LEU A  69   N  VAL A   8           
SHEET    4 AA1 4 ARG A  96  TYR A  99  1  O  ARG A  96   N  ILE A  64           
SHEET    1 AA2 4 GLU A 160  PHE A 165  0                                        
SHEET    2 AA2 4 ARG A 128  GLY A 133  1  N  GLY A 133   O  CYS A 164           
SHEET    3 AA2 4 THR A 188  PRO A 192  1  O  PHE A 189   N  VAL A 130           
SHEET    4 AA2 4 VAL A 218  LEU A 220  1  O  TYR A 219   N  THR A 188           
SHEET    1 AA3 4 VAL B  36  PHE B  41  0                                        
SHEET    2 AA3 4 GLN B   3  GLY B   9  1  N  GLY B   9   O  SER B  40           
SHEET    3 AA3 4 HIS B  63  PRO B  68  1  O  ALA B  65   N  ALA B   4           
SHEET    4 AA3 4 ARG B  96  TYR B  99  1  O  SER B  98   N  VAL B  66           
SHEET    1 AA4 4 GLU B 160  PHE B 165  0                                        
SHEET    2 AA4 4 ARG B 128  GLY B 133  1  N  VAL B 129   O  ILE B 162           
SHEET    3 AA4 4 THR B 188  PRO B 192  1  O  PHE B 189   N  VAL B 130           
SHEET    4 AA4 4 VAL B 218  LEU B 220  1  O  TYR B 219   N  THR B 188           
LINK         NE2 HIS A  10                CO    CO A 304     1555   1555  1.96  
LINK         NE2 HIS A  31                CO    CO A 301     1555   1555  2.42  
LINK         NE2 HIS A  76                CO    CO A 304     1555   1555  1.99  
LINK         NE2 HIS A  79                CO    CO A 302     1555   1555  1.83  
LINK         OE1 GLU A  83                CO    CO A 302     1555   1555  1.93  
LINK         NE2 HIS A 115                CO    CO A 303     1555   1555  2.31  
LINK         NE2 HIS A 229                CO    CO A 303     1555   1555  2.25  
LINK         NZ  LYS A 231                CO    CO A 301     1555   1555  1.86  
LINK         NE2 HIS B  10                CO    CO B 305     1555   1555  1.92  
LINK         NE2 HIS B  31                CO    CO B 301     1555   1555  1.88  
LINK         OE1 GLU B  43                CO    CO B 305     1555   1555  2.41  
LINK         NE2 HIS B  76                CO    CO B 305     1555   1555  2.35  
LINK         NE2 HIS B  79                CO    CO B 303     1555   1555  2.00  
LINK         OE2 GLU B  83                CO    CO B 303     1555   1555  2.17  
LINK         NE2 HIS B 115                CO    CO B 304     1555   1555  2.29  
LINK         NE2 HIS B 214                CO    CO B 302     1555   1555  2.43  
LINK         NE2 HIS B 229                CO    CO B 304     1555   1555  2.18  
LINK        CO    CO A 302                 O   HOH A 407     1555   1555  2.53  
LINK        CO    CO A 303                 O   HOH A 406     1555   1555  2.27  
LINK        CO    CO A 303                 O   HOH A 405     1555   1555  2.46  
LINK        CO    CO A 304                 O   HOH A 404     1555   1555  2.59  
LINK        CO    CO B 302                 O   HOH B 417     1555   1555  2.27  
LINK        CO    CO B 302                 O   HOH B 423     1555   1555  2.27  
LINK        CO    CO B 302                 O   HOH B 409     1555   1555  2.46  
LINK        CO    CO B 304                 O   HOH B 421     1555   1555  2.29  
LINK        CO    CO B 304                 O   HOH B 412     1555   1555  2.08  
LINK        CO    CO B 305                 O   HOH B 401     1555   1555  2.21  
CISPEP   1 GLU A   46    PRO A   47          0        13.86                     
CISPEP   2 GLY A  170    PRO A  171          0        -2.47                     
CISPEP   3 GLU B   46    PRO B   47          0        -2.64                     
CISPEP   4 GLY B  170    PRO B  171          0        -2.57                     
SITE     1 AC1  2 HIS A  31  LYS A 231                                          
SITE     1 AC2  4 HIS A  79  GLU A  83  HOH A 401  HOH A 407                    
SITE     1 AC3  4 HIS A 115  HIS A 229  HOH A 405  HOH A 406                    
SITE     1 AC4  4 HIS A  10  GLU A  43  HIS A  76  HOH A 404                    
SITE     1 AC5  3 HIS B  31  LYS B 231  HOH B 422                               
SITE     1 AC6  4 HIS B 214  HOH B 409  HOH B 417  HOH B 423                    
SITE     1 AC7  3 HIS B  79  GLU B  83  HOH B 418                               
SITE     1 AC8  4 HIS B 115  HIS B 229  HOH B 412  HOH B 421                    
SITE     1 AC9  4 HIS B  10  GLU B  43  HIS B  76  HOH B 401                    
CRYST1   64.960   52.090   75.470  90.00 112.09  90.00 P 1 21 1      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      0.015394  0.000000  0.006248        0.00000                         
SCALE2      0.000000  0.019198  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.014300        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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