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Database: PDB
Entry: 2Z3X
LinkDB: 2Z3X
Original site: 2Z3X 
HEADER    DNA BINDING PROTEIN/DNA                 08-JUN-07   2Z3X              
TITLE     STRUCTURE OF A PROTEIN-DNA COMPLEX ESSENTIAL FOR DNA PROTECTION IN    
TITLE    2 SPORE OF BACILLUS SPECIES                                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: 5'-D(*GP*GP*GP*GP*GP*GP*GP*GP*GP*GP*A)-3';                 
COMPND   3 CHAIN: D;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: 5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*A)-3';                 
COMPND   7 CHAIN: E;                                                            
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 3;                                                           
COMPND  10 MOLECULE: SMALL, ACID-SOLUBLE SPORE PROTEIN C;                       
COMPND  11 CHAIN: A, B, C;                                                      
COMPND  12 FRAGMENT: ALPHA/BETA-TYPE;                                           
COMPND  13 SYNONYM: SASP;                                                       
COMPND  14 ENGINEERED: YES;                                                     
COMPND  15 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE   4 ORGANISM_TAXID: 32630;                                               
SOURCE   5 MOL_ID: 2;                                                           
SOURCE   6 SYNTHETIC: YES;                                                      
SOURCE   7 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE   8 ORGANISM_TAXID: 32630;                                               
SOURCE   9 MOL_ID: 3;                                                           
SOURCE  10 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
SOURCE  11 ORGANISM_TAXID: 1423;                                                
SOURCE  12 GENE: SSPC;                                                          
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  15 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  16 EXPRESSION_SYSTEM_VECTOR_TYPE: PET11D;                               
SOURCE  17 EXPRESSION_SYSTEM_PLASMID: PPS708                                    
KEYWDS    ALPHA/BETA-TYPE SASP, BACILLUS SUBTILS SPORE, PROTEIN-DNA COMPLEX,    
KEYWDS   2 DNA BINDING PROTEIN-DNA COMPLEX                                      
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    K.S.LEE,M.J.JEDRZEJAS                                                 
REVDAT   3   24-OCT-18 2Z3X    1       SOURCE JRNL                              
REVDAT   2   24-FEB-09 2Z3X    1       VERSN                                    
REVDAT   1   12-FEB-08 2Z3X    0                                                
JRNL        AUTH   K.S.LEE,D.BUMBACA,J.KOSMAN,P.SETLOW,M.J.JEDRZEJAS            
JRNL        TITL   STRUCTURE OF A PROTEIN-DNA COMPLEX ESSENTIAL FOR DNA         
JRNL        TITL 2 PROTECTION IN SPORES OF BACILLUS SPECIES.                    
JRNL        REF    PROC. NATL. ACAD. SCI.        V. 105  2806 2008              
JRNL        REF  2 U.S.A.                                                       
JRNL        REFN                   ESSN 1091-6490                               
JRNL        PMID   18287075                                                     
JRNL        DOI    10.1073/PNAS.0708244105                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.10 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
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 : NULL                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 27.93                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 31089.690                      
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 90.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 17708                          
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) : 0.257                           
REMARK   3   FREE R VALUE                     : 0.283                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.800                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 853                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.010                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 6                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.10                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.23                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 63.20                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 1906                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.4200                       
REMARK   3   BIN FREE R VALUE                    : 0.4040                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 5.20                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 105                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.039                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1230                                    
REMARK   3   NUCLEIC ACID ATOMS       : 446                                     
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 22                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 28.60                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 60.90                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -11.18000                                            
REMARK   3    B22 (A**2) : -11.18000                                            
REMARK   3    B33 (A**2) : 22.36000                                             
REMARK   3    B12 (A**2) : -4.52000                                             
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) : 0.34                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.50                            
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) : 0.37                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.41                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.005                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.100                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 22.70                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.880                           
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        : 0.38                                                 
REMARK   3   BSOL        : 56.49                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : DNA-RNA_REP.PARAM                              
REMARK   3  PARAMETER FILE  3  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  4  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : DNA-RNA.TOP                                    
REMARK   3  TOPOLOGY FILE  3   : WATER.TOP                                      
REMARK   3  TOPOLOGY FILE  4   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2Z3X COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 11-JUN-07.                  
REMARK 100 THE DEPOSITION ID IS D_1000027489.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 03-JUL-03; 03-JUL-03               
REMARK 200  TEMPERATURE           (KELVIN) : 100; NULL                          
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 2                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y; Y                               
REMARK 200  RADIATION SOURCE               : ALS; ALS                           
REMARK 200  BEAMLINE                       : 8.2.1; 8.2.1                       
REMARK 200  X-RAY GENERATOR MODEL          : NULL; NULL                         
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M; M                               
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.1000; 0.9799, 0.9800, 0.9574     
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL, SI (111); DOUBLE   
REMARK 200                                   CRYSTAL, SI (111)                  
REMARK 200  OPTICS                         : NULL; NULL                         
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD; CCD                           
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 210; ADSC QUANTUM     
REMARK 200                                   210                                
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 17711                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.100                              
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     (%) : 90.5                               
REMARK 200  DATA REDUNDANCY                : 7.600                              
REMARK 200  R MERGE                    (I) : 0.05000                            
REMARK 200  R SYM                      (I) : 0.05000                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 15.9000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.18                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 59.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.29200                            
REMARK 200  R SYM FOR SHELL            (I) : 0.29200                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.700                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; MAD                         
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD                          
REMARK 200 SOFTWARE USED: SNB                                                   
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.79                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.91                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.01M MAGNESIUM SULFATE, 0.05M SODIUM    
REMARK 280  CACODYLATE, 1.4M AMMONIUM SULFATE, PH 6.0, VAPOR DIFFUSION,         
REMARK 280  HANGING DROP, TEMPERATURE 281K                                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 2 2                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290       4555   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+5/6                                            
REMARK 290       6555   X-Y,X,Z+1/6                                             
REMARK 290       7555   Y,X,-Z+1/3                                              
REMARK 290       8555   X-Y,-Y,-Z                                               
REMARK 290       9555   -X,-X+Y,-Z+2/3                                          
REMARK 290      10555   -Y,-X,-Z+5/6                                            
REMARK 290      11555   -X+Y,Y,-Z+1/2                                           
REMARK 290      12555   X,X-Y,-Z+1/6                                            
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       48.22300            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       96.44600            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       72.33450            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000      120.55750            
REMARK 290   SMTRY1   6  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       24.11150            
REMARK 290   SMTRY1   7 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       48.22300            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   9 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   9  0.000000  0.000000 -1.000000       96.44600            
REMARK 290   SMTRY1  10  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  10 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  10  0.000000  0.000000 -1.000000      120.55750            
REMARK 290   SMTRY1  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  11  0.000000  0.000000 -1.000000       72.33450            
REMARK 290   SMTRY1  12  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  12  0.000000  0.000000 -1.000000       24.11150            
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: PENTAMERIC                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, E, A, B, C                         
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY A    58                                                      
REMARK 465     GLN A    59                                                      
REMARK 465     PHE A    60                                                      
REMARK 465     HIS A    61                                                      
REMARK 465     GLY A    62                                                      
REMARK 465     GLN A    63                                                      
REMARK 465     GLN A    64                                                      
REMARK 465     GLY B    58                                                      
REMARK 465     GLN B    59                                                      
REMARK 465     PHE B    60                                                      
REMARK 465     HIS B    61                                                      
REMARK 465     GLY B    62                                                      
REMARK 465     GLN B    63                                                      
REMARK 465     GLN B    64                                                      
REMARK 465     GLY C    58                                                      
REMARK 465     GLN C    59                                                      
REMARK 465     PHE C    60                                                      
REMARK 465     HIS C    61                                                      
REMARK 465     GLY C    62                                                      
REMARK 465     GLN C    63                                                      
REMARK 465     GLN C    64                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   N1    DA D    11     N1    DA D    11    12566     2.10            
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    MET A  56      -48.42   -172.06                                   
REMARK 500    LYS B   3      104.90    -46.71                                   
REMARK 500    ASN B  55       34.32    -76.14                                   
REMARK 500    LEU C  28       95.37    -60.11                                   
REMARK 500    ASN C  55       35.74    -84.12                                   
REMARK 500    MET C  56      -20.58   -149.46                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2Z3X A    2    61  UNP    P02958   SSPC_BACSU      13     72             
DBREF  2Z3X B    2    61  UNP    P02958   SSPC_BACSU      13     72             
DBREF  2Z3X C    2    61  UNP    P02958   SSPC_BACSU      13     72             
DBREF  2Z3X D    1    11  PDB    2Z3X     2Z3X             1     11             
DBREF  2Z3X E   12    22  PDB    2Z3X     2Z3X            12     22             
SEQADV 2Z3X     A       UNP  P02958    MET     1 DELETION                       
SEQADV 2Z3X     A       UNP  P02958    ALA     2 DELETION                       
SEQADV 2Z3X     A       UNP  P02958    GLN     3 DELETION                       
SEQADV 2Z3X     A       UNP  P02958    GLN     4 DELETION                       
SEQADV 2Z3X     A       UNP  P02958    SER     5 DELETION                       
SEQADV 2Z3X     A       UNP  P02958    ARG     6 DELETION                       
SEQADV 2Z3X     A       UNP  P02958    SER     7 DELETION                       
SEQADV 2Z3X     A       UNP  P02958    ARG     8 DELETION                       
SEQADV 2Z3X     A       UNP  P02958    SER     9 DELETION                       
SEQADV 2Z3X     A       UNP  P02958    ASN    10 DELETION                       
SEQADV 2Z3X     A       UNP  P02958    ASN    11 DELETION                       
SEQADV 2Z3X     A       UNP  P02958    ASN    12 DELETION                       
SEQADV 2Z3X ALA A    2  UNP  P02958    ASN    13 ENGINEERED                     
SEQADV 2Z3X LYS A    3  UNP  P02958    ASP    14 ENGINEERED                     
SEQADV 2Z3X GLY A   62  UNP  P02958              EXPRESSION TAG                 
SEQADV 2Z3X GLN A   63  UNP  P02958              EXPRESSION TAG                 
SEQADV 2Z3X GLN A   64  UNP  P02958              EXPRESSION TAG                 
SEQADV 2Z3X     B       UNP  P02958    MET     1 DELETION                       
SEQADV 2Z3X     B       UNP  P02958    ALA     2 DELETION                       
SEQADV 2Z3X     B       UNP  P02958    GLN     3 DELETION                       
SEQADV 2Z3X     B       UNP  P02958    GLN     4 DELETION                       
SEQADV 2Z3X     B       UNP  P02958    SER     5 DELETION                       
SEQADV 2Z3X     B       UNP  P02958    ARG     6 DELETION                       
SEQADV 2Z3X     B       UNP  P02958    SER     7 DELETION                       
SEQADV 2Z3X     B       UNP  P02958    ARG     8 DELETION                       
SEQADV 2Z3X     B       UNP  P02958    SER     9 DELETION                       
SEQADV 2Z3X     B       UNP  P02958    ASN    10 DELETION                       
SEQADV 2Z3X     B       UNP  P02958    ASN    11 DELETION                       
SEQADV 2Z3X     B       UNP  P02958    ASN    12 DELETION                       
SEQADV 2Z3X ALA B    2  UNP  P02958    ASN    13 ENGINEERED                     
SEQADV 2Z3X LYS B    3  UNP  P02958    ASP    14 ENGINEERED                     
SEQADV 2Z3X GLY B   62  UNP  P02958              EXPRESSION TAG                 
SEQADV 2Z3X GLN B   63  UNP  P02958              EXPRESSION TAG                 
SEQADV 2Z3X GLN B   64  UNP  P02958              EXPRESSION TAG                 
SEQADV 2Z3X     C       UNP  P02958    MET     1 DELETION                       
SEQADV 2Z3X     C       UNP  P02958    ALA     2 DELETION                       
SEQADV 2Z3X     C       UNP  P02958    GLN     3 DELETION                       
SEQADV 2Z3X     C       UNP  P02958    GLN     4 DELETION                       
SEQADV 2Z3X     C       UNP  P02958    SER     5 DELETION                       
SEQADV 2Z3X     C       UNP  P02958    ARG     6 DELETION                       
SEQADV 2Z3X     C       UNP  P02958    SER     7 DELETION                       
SEQADV 2Z3X     C       UNP  P02958    ARG     8 DELETION                       
SEQADV 2Z3X     C       UNP  P02958    SER     9 DELETION                       
SEQADV 2Z3X     C       UNP  P02958    ASN    10 DELETION                       
SEQADV 2Z3X     C       UNP  P02958    ASN    11 DELETION                       
SEQADV 2Z3X     C       UNP  P02958    ASN    12 DELETION                       
SEQADV 2Z3X ALA C    2  UNP  P02958    ASN    13 ENGINEERED                     
SEQADV 2Z3X LYS C    3  UNP  P02958    ASP    14 ENGINEERED                     
SEQADV 2Z3X GLY C   62  UNP  P02958              EXPRESSION TAG                 
SEQADV 2Z3X GLN C   63  UNP  P02958              EXPRESSION TAG                 
SEQADV 2Z3X GLN C   64  UNP  P02958              EXPRESSION TAG                 
SEQRES   1 D   11   DG  DG  DG  DG  DG  DG  DG  DG  DG  DG  DA                  
SEQRES   1 E   11   DC  DC  DC  DC  DC  DC  DC  DC  DC  DC  DA                  
SEQRES   1 A   63  ALA LYS LEU LEU ILE PRO GLN ALA ALA SER ALA ILE GLU          
SEQRES   2 A   63  GLN MET LYS LEU GLU ILE ALA SER GLU PHE GLY VAL GLN          
SEQRES   3 A   63  LEU GLY ALA GLU THR THR SER ARG ALA ASN GLY SER VAL          
SEQRES   4 A   63  GLY GLY GLU ILE THR LYS ARG LEU VAL ARG LEU ALA GLN          
SEQRES   5 A   63  GLN ASN MET GLY GLY GLN PHE HIS GLY GLN GLN                  
SEQRES   1 B   63  ALA LYS LEU LEU ILE PRO GLN ALA ALA SER ALA ILE GLU          
SEQRES   2 B   63  GLN MET LYS LEU GLU ILE ALA SER GLU PHE GLY VAL GLN          
SEQRES   3 B   63  LEU GLY ALA GLU THR THR SER ARG ALA ASN GLY SER VAL          
SEQRES   4 B   63  GLY GLY GLU ILE THR LYS ARG LEU VAL ARG LEU ALA GLN          
SEQRES   5 B   63  GLN ASN MET GLY GLY GLN PHE HIS GLY GLN GLN                  
SEQRES   1 C   63  ALA LYS LEU LEU ILE PRO GLN ALA ALA SER ALA ILE GLU          
SEQRES   2 C   63  GLN MET LYS LEU GLU ILE ALA SER GLU PHE GLY VAL GLN          
SEQRES   3 C   63  LEU GLY ALA GLU THR THR SER ARG ALA ASN GLY SER VAL          
SEQRES   4 C   63  GLY GLY GLU ILE THR LYS ARG LEU VAL ARG LEU ALA GLN          
SEQRES   5 C   63  GLN ASN MET GLY GLY GLN PHE HIS GLY GLN GLN                  
FORMUL   6  HOH   *22(H2 O)                                                     
HELIX    1   1 ILE A    6  GLN A    8  5                                   3    
HELIX    2   2 ALA A    9  GLY A   25  1                                  17    
HELIX    3   3 THR A   33  ASN A   55  1                                  23    
HELIX    4   4 ILE B    6  GLN B    8  5                                   3    
HELIX    5   5 ALA B    9  GLY B   25  1                                  17    
HELIX    6   6 THR B   33  ASN B   55  1                                  23    
HELIX    7   7 ILE C    6  GLN C    8  5                                   3    
HELIX    8   8 ALA C    9  GLY C   25  1                                  17    
HELIX    9   9 THR C   33  ASN C   55  1                                  23    
CRYST1   86.962   86.962  144.669  90.00  90.00 120.00 P 61 2 2     36          
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      0.011499  0.006639  0.000000        0.00000                         
SCALE2      0.000000  0.013278  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.006912        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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