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Database: PDB
Entry: 1UBE
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HEADER    RECOMBINATION                           04-APR-03   1UBE              
TITLE     MSRECA-ADP COMPLEX                                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RECA;                                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: RECOMBINASE A;                                              
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS;                        
SOURCE   3 ORGANISM_TAXID: 1772;                                                
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   6 EXPRESSION_SYSTEM_STRAIN: JC10289;                                   
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PTHIOA                                    
KEYWDS    RECOMBINATION, DNA-REPAIR                                             
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.DATTA,R.KRISHNA,N.GANESH,N.R.CHANDRA,K.MUNIYAPPA,M.VIJAYAN          
REVDAT   3   25-OCT-23 1UBE    1       REMARK                                   
REVDAT   2   24-FEB-09 1UBE    1       VERSN                                    
REVDAT   1   22-JUL-03 1UBE    0                                                
JRNL        AUTH   S.DATTA,R.KRISHNA,N.GANESH,N.R.CHANDRA,K.MUNIYAPPA,M.VIJAYAN 
JRNL        TITL   CRYSTAL STRUCTURES OF MYCOBACTERIUM SMEGMATIS RECA AND ITS   
JRNL        TITL 2 NUCLEOTIDE COMPLEXES                                         
JRNL        REF    J.BACTERIOL.                  V. 185  4280 2003              
JRNL        REFN                   ISSN 0021-9193                               
JRNL        PMID   12837805                                                     
JRNL        DOI    10.1128/JB.185.14.4280-4284.2003                             
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   S.DATTA,M.PRABU,M.B.VAZE,N.GANESH,N.R.CHANDRA,K.MUNIYAPPA,   
REMARK   1  AUTH 2 M.VIJAYAN                                                    
REMARK   1  TITL   CRYSTAL STRUCTURES OF MYCOBACTERIUM TUBERCULOSIS RECA AND    
REMARK   1  TITL 2 ITS COMPLEX WITH ADP-ALF4: IMPLICATIONS FOR DECREASED ATPASE 
REMARK   1  TITL 3 ACTIVITY AND MOLECULAR AGGREGATION                           
REMARK   1  REF    NUCLEIC ACIDS RES.            V.  28  4964 2000              
REMARK   1  REFN                   ISSN 0305-1048                               
REMARK   1  DOI    10.1093/NAR/28.24.4964                                       
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   S.DATTA,N.GANESH,N.R.CHANDRA,K.MUNIYAPPA,M.VIJAYAN           
REMARK   1  TITL   STRUCTURAL STUDIES ON MTRECA-NUCLEOTIDE COMPLEXES: INSIGHTS  
REMARK   1  TITL 2 INTO DNA AND NUCLEOTIDE BINDING AND THE STRUCTURAL SIGNATURE 
REMARK   1  TITL 3 OF NTP RECOGNITION                                           
REMARK   1  REF    PROTEINS                      V.  50   474 2003              
REMARK   1  REFN                   ISSN 0887-3585                               
REMARK   1  DOI    10.1002/PROT.10315                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.30 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 : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 3.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 15.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 159582.440                     
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 86.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 5836                           
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) : 0.221                           
REMARK   3   FREE R VALUE                     : 0.290                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 8.300                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 486                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.013                           
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) : 3.30                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 3.50                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 77.00                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 865                          
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3440                       
REMARK   3   BIN FREE R VALUE                    : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2235                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 27                                      
REMARK   3   SOLVENT ATOMS            : 55                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 65.80                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -17.01000                                            
REMARK   3    B22 (A**2) : -17.01000                                            
REMARK   3    B33 (A**2) : 34.02000                                             
REMARK   3    B12 (A**2) : -2.25000                                             
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) : 0.40                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.71                            
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) : 0.64                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 1.07                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.307                           
REMARK   3   BOND ANGLES            (DEGREES) : 2.500                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 21.90                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.870                           
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) : 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        : 0.20                                                 
REMARK   3   BSOL        : 51.23                                                
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  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  3  : ADP_XPLOR_PARAM                                
REMARK   3  PARAMETER FILE  4  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : WATER.TOP                                      
REMARK   3  TOPOLOGY FILE  3   : ADP_XPLOR_TOP                                  
REMARK   3  TOPOLOGY FILE  4   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1UBE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 07-APR-03.                  
REMARK 100 THE DEPOSITION ID IS D_1000005647.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 14-MAY-02                          
REMARK 200  TEMPERATURE           (KELVIN) : 293                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU RU200                       
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
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 : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 6339                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 92.5                               
REMARK 200  DATA REDUNDANCY                : 2.600                              
REMARK 200  R MERGE                    (I) : 0.10900                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 5.2000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.42                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 93.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.70                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.47200                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.500                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: AMORE                                                 
REMARK 200 STARTING MODEL: 1G19                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 64.57                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.50                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000, CIT_PHOS, NACL, DTT, PH 7.5,   
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61                             
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                                                                      
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       24.55433            
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       49.10867            
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       36.83150            
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       61.38583            
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       12.27717            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     GLN A     3                                                      
REMARK 465     GLN A     4                                                      
REMARK 465     GLY A   159                                                      
REMARK 465     GLU A   160                                                      
REMARK 465     MET A   161                                                      
REMARK 465     GLY A   162                                                      
REMARK 465     ASP A   163                                                      
REMARK 465     SER A   164                                                      
REMARK 465     HIS A   165                                                      
REMARK 465     VAL A   166                                                      
REMARK 465     LEU A   197                                                      
REMARK 465     ARG A   198                                                      
REMARK 465     GLU A   199                                                      
REMARK 465     LYS A   200                                                      
REMARK 465     ILE A   201                                                      
REMARK 465     GLY A   202                                                      
REMARK 465     VAL A   203                                                      
REMARK 465     MET A   204                                                      
REMARK 465     PHE A   205                                                      
REMARK 465     GLY A   206                                                      
REMARK 465     SER A   207                                                      
REMARK 465     PRO A   208                                                      
REMARK 465     GLU A   209                                                      
REMARK 465     THR A   210                                                      
REMARK 465     THR A   211                                                      
REMARK 465     ILE A   331                                                      
REMARK 465     GLY A   332                                                      
REMARK 465     ALA A   333                                                      
REMARK 465     VAL A   334                                                      
REMARK 465     VAL A   335                                                      
REMARK 465     THR A   336                                                      
REMARK 465     ALA A   337                                                      
REMARK 465     GLU A   338                                                      
REMARK 465     ALA A   339                                                      
REMARK 465     ASP A   340                                                      
REMARK 465     ASP A   341                                                      
REMARK 465     VAL A   342                                                      
REMARK 465     LEU A   343                                                      
REMARK 465     PRO A   344                                                      
REMARK 465     ALA A   345                                                      
REMARK 465     PRO A   346                                                      
REMARK 465     VAL A   347                                                      
REMARK 465     ASP A   348                                                      
REMARK 465     PHE A   349                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     ARG A   8    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LEU A  14    CG   CD1  CD2                                       
REMARK 470     LYS A 107    CG   CD   CE   NZ                                   
REMARK 470     ARG A 171    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASN A 185    CG   OD1  ND2                                       
REMARK 470     LYS A 234    CG   CD   CE   NZ                                   
REMARK 470     ASP A 235    CG   OD1  OD2                                       
REMARK 470     TYR A 266    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     LYS A 288    CG   CD   CE   NZ                                   
REMARK 470     ARG A 308    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ILE A 325    CG1  CG2  CD1                                       
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    ARG A   8      -84.03    -54.19                                   
REMARK 500    LYS A  25      -78.05    -96.55                                   
REMARK 500    LEU A  31       -6.77    -48.80                                   
REMARK 500    VAL A  35      146.35    -21.69                                   
REMARK 500    ARG A  36     -175.09     63.94                                   
REMARK 500    GLN A  37       87.65    164.93                                   
REMARK 500    VAL A  41      149.58   -173.37                                   
REMARK 500    GLU A  70      166.34    -48.17                                   
REMARK 500    LYS A  74      -72.06    -38.77                                   
REMARK 500    ALA A  85       -6.97    -55.84                                   
REMARK 500    ALA A  88       42.80   -104.49                                   
REMARK 500    ALA A  97      -15.02   -144.77                                   
REMARK 500    ASP A 114      -14.02    -48.60                                   
REMARK 500    GLN A 120       69.57   -112.24                                   
REMARK 500    PRO A 121      168.33    -43.95                                   
REMARK 500    ASP A 132      -77.31    -78.41                                   
REMARK 500    MET A 133      -19.51    -47.15                                   
REMARK 500    SER A 147       99.05     85.26                                   
REMARK 500    ALA A 150       31.04    -84.02                                   
REMARK 500    LEU A 151       60.99   -109.28                                   
REMARK 500    ARG A 171      -55.07    169.91                                   
REMARK 500    GLN A 175      -76.76    -47.16                                   
REMARK 500    LYS A 215      -88.01     15.36                                   
REMARK 500    ALA A 216      -82.49    -28.23                                   
REMARK 500    LEU A 233      106.57    -44.46                                   
REMARK 500    THR A 237     -127.66    -68.90                                   
REMARK 500    ALA A 239      132.61   -175.71                                   
REMARK 500    SER A 254      178.94    173.78                                   
REMARK 500    PHE A 257      -17.98     72.97                                   
REMARK 500    GLN A 268      -25.66   -174.12                                   
REMARK 500    SER A 271      103.29    -58.84                                   
REMARK 500    ARG A 272      -73.50    -50.33                                   
REMARK 500    ASP A 278      -70.04    -43.90                                   
REMARK 500    SER A 289       33.45    -94.49                                   
REMARK 500    SER A 291       -8.36     78.56                                   
REMARK 500    GLU A 296       91.09     31.32                                   
REMARK 500    LEU A 329      -68.30   -128.34                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ADP A 503                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1G19   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1MO3   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1UBC   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF RECA                                            
REMARK 900 RELATED ID: 1UBF   RELATED DB: PDB                                   
REMARK 900 RECA-ATPGS COMPLEX                                                   
REMARK 900 RELATED ID: 1UBG   RELATED DB: PDB                                   
REMARK 900 RECA-DATP COMPLEX                                                    
DBREF  1UBE A    1   349  UNP    Q59560   RECA_MYCSM       1    349             
SEQRES   1 A  349  MET ALA GLN GLN ALA PRO ASP ARG GLU LYS ALA LEU GLU          
SEQRES   2 A  349  LEU ALA MET ALA GLN ILE ASP LYS ASN PHE GLY LYS GLY          
SEQRES   3 A  349  SER VAL MET ARG LEU GLY GLU GLU VAL ARG GLN PRO ILE          
SEQRES   4 A  349  SER VAL ILE PRO THR GLY SER ILE SER LEU ASP VAL ALA          
SEQRES   5 A  349  LEU GLY ILE GLY GLY LEU PRO ARG GLY ARG VAL ILE GLU          
SEQRES   6 A  349  ILE TYR GLY PRO GLU SER SER GLY LYS THR THR VAL ALA          
SEQRES   7 A  349  LEU HIS ALA VAL ALA ASN ALA GLN ALA ALA GLY GLY ILE          
SEQRES   8 A  349  ALA ALA PHE ILE ASP ALA GLU HIS ALA LEU ASP PRO GLU          
SEQRES   9 A  349  TYR ALA LYS LYS LEU GLY VAL ASP THR ASP SER LEU LEU          
SEQRES  10 A  349  VAL SER GLN PRO ASP THR GLY GLU GLN ALA LEU GLU ILE          
SEQRES  11 A  349  ALA ASP MET LEU VAL ARG SER GLY ALA LEU ASP ILE ILE          
SEQRES  12 A  349  VAL ILE ASP SER VAL ALA ALA LEU VAL PRO ARG ALA GLU          
SEQRES  13 A  349  ILE GLU GLY GLU MET GLY ASP SER HIS VAL GLY LEU GLN          
SEQRES  14 A  349  ALA ARG LEU MET SER GLN ALA LEU ARG LYS MET THR GLY          
SEQRES  15 A  349  ALA LEU ASN ASN SER GLY THR THR ALA ILE PHE ILE ASN          
SEQRES  16 A  349  GLN LEU ARG GLU LYS ILE GLY VAL MET PHE GLY SER PRO          
SEQRES  17 A  349  GLU THR THR THR GLY GLY LYS ALA LEU LYS PHE TYR ALA          
SEQRES  18 A  349  SER VAL ARG LEU ASP VAL ARG ARG ILE GLU THR LEU LYS          
SEQRES  19 A  349  ASP GLY THR ASP ALA VAL GLY ASN ARG THR ARG VAL LYS          
SEQRES  20 A  349  VAL VAL LYS ASN LYS VAL SER PRO PRO PHE LYS GLN ALA          
SEQRES  21 A  349  GLU PHE ASP ILE LEU TYR GLY GLN GLY ILE SER ARG GLU          
SEQRES  22 A  349  GLY SER LEU ILE ASP MET GLY VAL GLU HIS GLY PHE ILE          
SEQRES  23 A  349  ARG LYS SER GLY SER TRP PHE THR TYR GLU GLY GLU GLN          
SEQRES  24 A  349  LEU GLY GLN GLY LYS GLU ASN ALA ARG LYS PHE LEU LEU          
SEQRES  25 A  349  GLU ASN THR ASP VAL ALA ASN GLU ILE GLU LYS LYS ILE          
SEQRES  26 A  349  LYS GLU LYS LEU GLY ILE GLY ALA VAL VAL THR ALA GLU          
SEQRES  27 A  349  ALA ASP ASP VAL LEU PRO ALA PRO VAL ASP PHE                  
HET    ADP  A 503      27                                                       
HETNAM     ADP ADENOSINE-5'-DIPHOSPHATE                                         
FORMUL   2  ADP    C10 H15 N5 O10 P2                                            
FORMUL   3  HOH   *55(H2 O)                                                     
HELIX    1   1 ALA A    5  GLY A   24  1                                  20    
HELIX    2   2 SER A   46  VAL A   51  1                                   6    
HELIX    3   3 GLY A   73  ALA A   88  1                                  16    
HELIX    4   4 ASP A  102  GLY A  110  1                                   9    
HELIX    5   5 ASP A  112  LEU A  116  5                                   5    
HELIX    6   6 THR A  123  ALA A  131  1                                   9    
HELIX    7   7 ALA A  131  SER A  137  1                                   7    
HELIX    8   8 PRO A  153  GLU A  158  1                                   6    
HELIX    9   9 LEU A  168  GLY A  188  1                                  21    
HELIX   10  10 ALA A  216  ALA A  221  1                                   6    
HELIX   11  11 SER A  271  GLU A  282  1                                  12    
HELIX   12  12 GLY A  303  ASN A  314  1                                  12    
HELIX   13  13 ASN A  314  LYS A  328  1                                  15    
SHEET    1   A 9 LEU A 117  SER A 119  0                                        
SHEET    2   A 9 ILE A  91  ILE A  95  1  N  PHE A  94   O  LEU A 117           
SHEET    3   A 9 LEU A 140  ILE A 145  1  O  VAL A 144   N  ILE A  95           
SHEET    4   A 9 THR A 190  ILE A 194  1  O  ILE A 192   N  ILE A 145           
SHEET    5   A 9 VAL A  63  TYR A  67  1  N  ILE A  64   O  ALA A 191           
SHEET    6   A 9 VAL A 223  LEU A 233  1  O  LEU A 225   N  GLU A  65           
SHEET    7   A 9 GLY A 241  ASN A 251 -1  O  ARG A 245   N  ARG A 228           
SHEET    8   A 9 GLN A 259  LEU A 265 -1  O  ALA A 260   N  VAL A 246           
SHEET    9   A 9 GLY A 269  ILE A 270 -1  O  GLY A 269   N  LEU A 265           
SHEET    1   B 3 ARG A 287  LYS A 288  0                                        
SHEET    2   B 3 TRP A 292  TYR A 295 -1  O  THR A 294   N  ARG A 287           
SHEET    3   B 3 GLU A 298  GLN A 302 -1  O  LEU A 300   N  PHE A 293           
SITE     1 AC1  9 SER A  71  SER A  72  GLY A  73  LYS A  74                    
SITE     2 AC1  9 THR A  75  THR A  76  TYR A 105  ASN A 242                    
SITE     3 AC1  9 GLY A 267                                                     
CRYST1  103.320  103.320   73.663  90.00  90.00 120.00 P 61          6          
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      0.009679  0.005588  0.000000        0.00000                         
SCALE2      0.000000  0.011176  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013575        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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