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Database: PDB
Entry: 1BLE
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Original site: 1BLE 
HEADER    PHOSPHOTRANSFERASE                      15-MAY-97   1BLE              
TITLE     PHOSPHOENOLPYRUVATE-DEPENDENT PHOSPHOTRANSFERASE SYSTEM               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FRUCTOSE PERMEASE;                                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: FRUCTOSE TRANSPORTER, IIB SUBUNIT;                          
COMPND   5 EC: 2.7.1.69;                                                        
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
SOURCE   3 ORGANISM_TAXID: 1423;                                                
SOURCE   4 STRAIN: WA2127 AND D41;                                              
SOURCE   5 GENE: LEVE;                                                          
SOURCE   6 EXPRESSION_SYSTEM: BACILLUS SUBTILIS;                                
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 1423;                                       
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PRL1                                      
KEYWDS    PHOSPHOTRANSFERASE, SUGAR TRANSPORT                                   
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.SCHAUDER,T.SCHIRMER                                                 
REVDAT   3   24-FEB-09 1BLE    1       VERSN                                    
REVDAT   2   22-DEC-99 1BLE    1       JRNL                                     
REVDAT   1   17-SEP-97 1BLE    0                                                
JRNL        AUTH   S.SCHAUDER,R.S.NUNN,R.LANZ,B.ERNI,T.SCHIRMER                 
JRNL        TITL   CRYSTAL STRUCTURE OF THE IIB SUBUNIT OF A FRUCTOSE           
JRNL        TITL 2 PERMEASE (IIBLEV) FROM BACILLUS SUBTILIS.                    
JRNL        REF    J.MOL.BIOL.                   V. 276   591 1998              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   9551099                                                      
JRNL        DOI    10.1006/JMBI.1997.1544                                       
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   I.MARTIN-VERSTRAETE,M.DEBARBOUILLE,A.KLIER,                  
REMARK   1  AUTH 2 G.RAPOPORT                                                   
REMARK   1  TITL   LEVANASE OPERON OF BACILLUS SUBTILIS INCLUDES A              
REMARK   1  TITL 2 FRUCTOSE-SPECIFIC PHOSPHOTRANSFERASE SYSTEM                  
REMARK   1  TITL 3 REGULATING THE EXPRESSION OF THE OPERON                      
REMARK   1  REF    J.MOL.BIOL.                   V. 214   657 1990              
REMARK   1  REFN                   ISSN 0022-2836                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.90 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.1                                           
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.90                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 20.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 97.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 4866                           
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) : 0.185                           
REMARK   3   FREE R VALUE                     : 0.263                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.000                          
REMARK   3   FREE R VALUE TEST SET COUNT      : NULL                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 8                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.90                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 3.03                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 98.80                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 532                          
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2890                       
REMARK   3   BIN FREE R VALUE                    : 0.4270                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 10.00                        
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1180                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 7                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 61.60                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 64.50                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.014                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.70                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 25.20                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.70                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 2.400 ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 4.100 ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : 3.300 ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 5.100 ; NULL                 
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:  EXCEPT FOR THE ACTIVE LOOP RESIDUE       
REMARK   3  PHE 13, ALL MAIN CHAIN ATOMS ARE WITHIN THE ALLOWED REGIONS OF      
REMARK   3  THE RAMACHANDRAN PLOT.                                              
REMARK   4                                                                      
REMARK   4 1BLE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 02-DEC-95                          
REMARK 200  TEMPERATURE           (KELVIN) : 293                                
REMARK 200  PH                             : 9.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SRS                                
REMARK 200  BEAMLINE                       : PX9.6                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.87                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : CCP4                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 4889                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.900                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 3.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.7                               
REMARK 200  DATA REDUNDANCY                : 3.500                              
REMARK 200  R MERGE                    (I) : 0.05400                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.90                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.00                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 96.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.28800                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: NULL                                           
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MIRAS                        
REMARK 200 SOFTWARE USED: X-PLOR 3.1                                            
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 56.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.79                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PH 9.0                                   
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 3 2                         
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       5555   Z,X,Y                                                   
REMARK 290       6555   Z+1/2,-X+1/2,-Y                                         
REMARK 290       7555   -Z+1/2,-X,Y+1/2                                         
REMARK 290       8555   -Z,X+1/2,-Y+1/2                                         
REMARK 290       9555   Y,Z,X                                                   
REMARK 290      10555   -Y,Z+1/2,-X+1/2                                         
REMARK 290      11555   Y+1/2,-Z+1/2,-X                                         
REMARK 290      12555   -Y+1/2,-Z,X+1/2                                         
REMARK 290      13555   Y+1/4,X+3/4,-Z+3/4                                      
REMARK 290      14555   -Y+1/4,-X+1/4,-Z+1/4                                    
REMARK 290      15555   Y+3/4,-X+3/4,Z+1/4                                      
REMARK 290      16555   -Y+3/4,X+1/4,Z+3/4                                      
REMARK 290      17555   X+1/4,Z+3/4,-Y+3/4                                      
REMARK 290      18555   -X+3/4,Z+1/4,Y+3/4                                      
REMARK 290      19555   -X+1/4,-Z+1/4,-Y+1/4                                    
REMARK 290      20555   X+3/4,-Z+3/4,Y+1/4                                      
REMARK 290      21555   Z+1/4,Y+3/4,-X+3/4                                      
REMARK 290      22555   Z+3/4,-Y+3/4,X+1/4                                      
REMARK 290      23555   -Z+3/4,Y+1/4,X+3/4                                      
REMARK 290      24555   -Z+1/4,-Y+1/4,-X+1/4                                    
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       53.45000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       53.45000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       53.45000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       53.45000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       53.45000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       53.45000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   6  0.000000  0.000000  1.000000       53.45000            
REMARK 290   SMTRY2   6 -1.000000  0.000000  0.000000       53.45000            
REMARK 290   SMTRY3   6  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   7  0.000000  0.000000 -1.000000       53.45000            
REMARK 290   SMTRY2   7 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  1.000000  0.000000       53.45000            
REMARK 290   SMTRY1   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2   8  1.000000  0.000000  0.000000       53.45000            
REMARK 290   SMTRY3   8  0.000000 -1.000000  0.000000       53.45000            
REMARK 290   SMTRY1   9  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   9  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3   9  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  10  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  10  0.000000  0.000000  1.000000       53.45000            
REMARK 290   SMTRY3  10 -1.000000  0.000000  0.000000       53.45000            
REMARK 290   SMTRY1  11  0.000000  1.000000  0.000000       53.45000            
REMARK 290   SMTRY2  11  0.000000  0.000000 -1.000000       53.45000            
REMARK 290   SMTRY3  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  12  0.000000 -1.000000  0.000000       53.45000            
REMARK 290   SMTRY2  12  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  12  1.000000  0.000000  0.000000       53.45000            
REMARK 290   SMTRY1  13  0.000000  1.000000  0.000000       26.72500            
REMARK 290   SMTRY2  13  1.000000  0.000000  0.000000       80.17500            
REMARK 290   SMTRY3  13  0.000000  0.000000 -1.000000       80.17500            
REMARK 290   SMTRY1  14  0.000000 -1.000000  0.000000       26.72500            
REMARK 290   SMTRY2  14 -1.000000  0.000000  0.000000       26.72500            
REMARK 290   SMTRY3  14  0.000000  0.000000 -1.000000       26.72500            
REMARK 290   SMTRY1  15  0.000000  1.000000  0.000000       80.17500            
REMARK 290   SMTRY2  15 -1.000000  0.000000  0.000000       80.17500            
REMARK 290   SMTRY3  15  0.000000  0.000000  1.000000       26.72500            
REMARK 290   SMTRY1  16  0.000000 -1.000000  0.000000       80.17500            
REMARK 290   SMTRY2  16  1.000000  0.000000  0.000000       26.72500            
REMARK 290   SMTRY3  16  0.000000  0.000000  1.000000       80.17500            
REMARK 290   SMTRY1  17  1.000000  0.000000  0.000000       26.72500            
REMARK 290   SMTRY2  17  0.000000  0.000000  1.000000       80.17500            
REMARK 290   SMTRY3  17  0.000000 -1.000000  0.000000       80.17500            
REMARK 290   SMTRY1  18 -1.000000  0.000000  0.000000       80.17500            
REMARK 290   SMTRY2  18  0.000000  0.000000  1.000000       26.72500            
REMARK 290   SMTRY3  18  0.000000  1.000000  0.000000       80.17500            
REMARK 290   SMTRY1  19 -1.000000  0.000000  0.000000       26.72500            
REMARK 290   SMTRY2  19  0.000000  0.000000 -1.000000       26.72500            
REMARK 290   SMTRY3  19  0.000000 -1.000000  0.000000       26.72500            
REMARK 290   SMTRY1  20  1.000000  0.000000  0.000000       80.17500            
REMARK 290   SMTRY2  20  0.000000  0.000000 -1.000000       80.17500            
REMARK 290   SMTRY3  20  0.000000  1.000000  0.000000       26.72500            
REMARK 290   SMTRY1  21  0.000000  0.000000  1.000000       26.72500            
REMARK 290   SMTRY2  21  0.000000  1.000000  0.000000       80.17500            
REMARK 290   SMTRY3  21 -1.000000  0.000000  0.000000       80.17500            
REMARK 290   SMTRY1  22  0.000000  0.000000  1.000000       80.17500            
REMARK 290   SMTRY2  22  0.000000 -1.000000  0.000000       80.17500            
REMARK 290   SMTRY3  22  1.000000  0.000000  0.000000       26.72500            
REMARK 290   SMTRY1  23  0.000000  0.000000 -1.000000       80.17500            
REMARK 290   SMTRY2  23  0.000000  1.000000  0.000000       26.72500            
REMARK 290   SMTRY3  23  1.000000  0.000000  0.000000       80.17500            
REMARK 290   SMTRY1  24  0.000000  0.000000 -1.000000       26.72500            
REMARK 290   SMTRY2  24  0.000000 -1.000000  0.000000       26.72500            
REMARK 290   SMTRY3  24 -1.000000  0.000000  0.000000       26.72500            
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: TRIMERIC                          
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   BIOMT1   2  0.000000 -1.000000  0.000000      106.90000            
REMARK 350   BIOMT2   2  0.000000  0.000000  1.000000       53.45000            
REMARK 350   BIOMT3   2 -1.000000  0.000000  0.000000       53.45000            
REMARK 350   BIOMT1   3  0.000000  0.000000 -1.000000       53.45000            
REMARK 350   BIOMT2   3 -1.000000  0.000000  0.000000      106.90000            
REMARK 350   BIOMT3   3  0.000000  1.000000  0.000000      -53.45000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     LYS A   163                                                      
REMARK 480                                                                      
REMARK 480 ZERO OCCUPANCY ATOM                                                  
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 480   M RES C SSEQI ATOMS                                                
REMARK 480     ARG A   12   CG    CD    NE    CZ    NH1   NH2                   
REMARK 480     GLN A   17   CG    CD    OE1   NE2                               
REMARK 480     LYS A   24   CG    CD    CE    NZ                                
REMARK 480     GLN A   40   CG    CD    OE1   NE2                               
REMARK 480     GLU A   42   CG    CD    OE1   OE2                               
REMARK 480     LYS A   45   CG    CD    CE    NZ                                
REMARK 480     LEU A   47   CG    CD1   CD2                                     
REMARK 480     ILE A   48   CG1   CG2   CD1                                     
REMARK 480     SER A   54   OG                                                  
REMARK 480     ASN A   55   CG    OD1   ND2                                     
REMARK 480     LYS A   68   CG    CD    CE    NZ                                
REMARK 480     ARG A   74   CZ    NH1   NH2                                     
REMARK 480     LYS A  101   CG    CD    CE    NZ                                
REMARK 480     ARG A  109   NE    CZ    NH1   NH2                               
REMARK 480     LYS A  119   CD    CE    NZ                                      
REMARK 480     SER A  120   OG                                                  
REMARK 480     GLU A  125   CG    CD    OE1   OE2                               
REMARK 480     GLN A  126   CG    CD    OE1   NE2                               
REMARK 480     LYS A  129   CD    CE    NZ                                      
REMARK 480     LYS A  140   CG    CD    CE    NZ                                
REMARK 480     GLN A  156   CG    CD    OE1   NE2                               
REMARK 480     ASN A  160   CG    OD1   ND2                                     
REMARK 480     VAL A  161   CG1   CG2                                           
REMARK 480     THR A  162   O                                                   
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    ASP A  10      105.59   -164.03                                   
REMARK 500    PHE A  13     -103.87     60.69                                   
REMARK 500    SER A  35      129.68   -171.85                                   
REMARK 500    ASN A  55        3.54     80.72                                   
REMARK 500    ARG A 144      152.39    176.51                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1BLE A    1   163  UNP    P26380   PTFB_BACSU       1    163             
SEQRES   1 A  163  MET MET ASN ILE VAL LEU ALA ARG ILE ASP ASP ARG PHE          
SEQRES   2 A  163  ILE HIS GLY GLN ILE LEU THR ARG TRP ILE LYS VAL HIS          
SEQRES   3 A  163  ALA ALA ASP ARG ILE ILE VAL VAL SER ASP ASP ILE ALA          
SEQRES   4 A  163  GLN ASP GLU MET ARG LYS THR LEU ILE LEU SER VAL ALA          
SEQRES   5 A  163  PRO SER ASN VAL LYS ALA SER ALA VAL SER VAL SER LYS          
SEQRES   6 A  163  MET ALA LYS ALA PHE HIS SER PRO ARG TYR GLU GLY VAL          
SEQRES   7 A  163  THR ALA MET LEU LEU PHE GLU ASN PRO SER ASP ILE VAL          
SEQRES   8 A  163  SER LEU ILE GLU ALA GLY VAL PRO ILE LYS THR VAL ASN          
SEQRES   9 A  163  VAL GLY GLY MET ARG PHE GLU ASN HIS ARG ARG GLN ILE          
SEQRES  10 A  163  THR LYS SER VAL SER VAL THR GLU GLN ASP ILE LYS ALA          
SEQRES  11 A  163  PHE GLU THR LEU SER ASP LYS GLY VAL LYS LEU GLU LEU          
SEQRES  12 A  163  ARG GLN LEU PRO SER ASP ALA SER GLU ASP PHE VAL GLN          
SEQRES  13 A  163  ILE LEU ARG ASN VAL THR LYS                                  
FORMUL   2  HOH   *7(H2 O)                                                      
HELIX    1   1 ILE A   18  HIS A   26  1                                   9    
HELIX    2   2 ASP A   36  GLN A   40  1                                   5    
HELIX    3   3 GLU A   42  LEU A   49  1                                   8    
HELIX    4   4 VAL A   63  HIS A   71  1                                   9    
HELIX    5   5 SER A   88  ALA A   96  1                                   9    
HELIX    6   6 GLU A  125  ASP A  136  1                                  12    
HELIX    7   7 PHE A  154  ARG A  159  1                                   6    
SHEET    1   A 6 LYS A  57  VAL A  61  0                                        
SHEET    2   A 6 ARG A  30  VAL A  34  1  N  ILE A  31   O  LYS A  57           
SHEET    3   A 6 THR A  79  PHE A  84  1  N  MET A  81   O  ARG A  30           
SHEET    4   A 6 ASN A   3  ASP A  10  1  N  ASN A   3   O  ALA A  80           
SHEET    5   A 6 THR A 102  GLY A 107  1  N  ASN A 104   O  ILE A   9           
SHEET    6   A 6 LYS A 140  LEU A 143  1  N  LYS A 140   O  VAL A 103           
CRYST1  106.900  106.900  106.900  90.00  90.00  90.00 P 43 3 2     24          
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      0.009355  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.009355  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.009355        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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