GenomeNet

Database: PDB
Entry: 3V7E
LinkDB: 3V7E
Original site: 3V7E 
HEADER    RIBOSOMAL PROTEIN/RNA                   21-DEC-11   3V7E              
TITLE     CRYSTAL STRUCTURE OF YBXF BOUND TO THE SAM-I RIBOSWITCH APTAMER       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RIBOSOME-ASSOCIATED PROTEIN L7AE-LIKE;                     
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: SAM-I RIBOSWITCH APTAMER WITH AN ENGINEERED HELIX P3;      
COMPND   7 CHAIN: C, D;                                                         
COMPND   8 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
SOURCE   3 ORGANISM_TAXID: 1423;                                                
SOURCE   4 GENE: BSU01090, RPLGB, YBAB, YBXF;                                   
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET16B;                                   
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 SYNTHETIC: YES;                                                      
SOURCE  12 ORGANISM_SCIENTIFIC: CALDANAEROBACTER SUBTERRANEUS SUBSP.            
SOURCE  13 TENGCONGENSIS;                                                       
SOURCE  14 ORGANISM_TAXID: 119072;                                              
SOURCE  15 OTHER_DETAILS: RNA WAS PREPARED BY IN VITRO TRANSCRIPTION WITH T7    
SOURCE  16 RNA POLYMERASE                                                       
KEYWDS    RNA-PROTEIN COMPLEX, RIBOSWITCH, K-TURN, L7AE-LIKE, A MEMBER OF THE   
KEYWDS   2 L7AE/L30E SUPERFAMILY, UNKNOWN FUNCTION, K-TURN MOTIF, RIBOSOMAL     
KEYWDS   3 PROTEIN-RNA COMPLEX                                                  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    N.J.BAIRD,J.ZHANG,T.HAMMA,A.R.FERRE-D'AMARE                           
REVDAT   2   18-APR-12 3V7E    1       JRNL                                     
REVDAT   1   07-MAR-12 3V7E    0                                                
JRNL        AUTH   N.J.BAIRD,J.ZHANG,T.HAMMA,A.R.FERRE-D'AMARE                  
JRNL        TITL   YBXF AND YLXQ ARE BACTERIAL HOMOLOGS OF L7AE AND BIND        
JRNL        TITL 2 K-TURNS BUT NOT K-LOOPS.                                     
JRNL        REF    RNA                           V.  18   759 2012              
JRNL        REFN                   ISSN 1355-8382                               
JRNL        PMID   22355167                                                     
JRNL        DOI    10.1261/RNA.031518.111                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.3                                              
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) : 2.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 29.54                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 74723.320                      
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 93.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 22926                          
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) : 0.218                           
REMARK   3   FREE R VALUE                     : 0.274                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 9.900                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2276                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.006                           
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) : 2.80                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.98                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 78.70                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 2870                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.4040                       
REMARK   3   BIN FREE R VALUE                    : 0.4510                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 10.00                        
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 320                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.025                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 962                                     
REMARK   3   NUCLEIC ACID ATOMS       : 5372                                    
REMARK   3   HETEROGEN ATOMS          : 202                                     
REMARK   3   SOLVENT ATOMS            : 15                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 121.20                         
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 75.60                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 25.12000                                             
REMARK   3    B22 (A**2) : 7.19000                                              
REMARK   3    B33 (A**2) : -32.32000                                            
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 15.88000                                             
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) : 0.64                            
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) : 0.49                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.79                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.006                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.40                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 18.50                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.73                            
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) : 3.520 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 5.580 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 4.990 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 6.870 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.25                                                 
REMARK   3   BSOL        : 20.05                                                
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  : ION.PARAM                                      
REMARK   3  PARAMETER FILE  5  : CARBOHYDRATE.PARAM                             
REMARK   3  PARAMETER FILE  6  : SAM.PAR                                        
REMARK   3  PARAMETER FILE  7  : NCO.PAR                                        
REMARK   3  PARAMETER FILE  8  : 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   : ION.TOP                                        
REMARK   3  TOPOLOGY FILE  5   : CARBOHYDRATE.TOP                               
REMARK   3  TOPOLOGY FILE  6   : SAM.TOP                                        
REMARK   3  TOPOLOGY FILE  7   : NCO.TOP                                        
REMARK   3  TOPOLOGY FILE  8   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED                   
REMARK   4                                                                      
REMARK   4 3V7E COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-JAN-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB069688.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 09-MAY-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6                                  
REMARK 200  NUMBER OF CRYSTALS USED        : 2                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ALS                                
REMARK 200  BEAMLINE                       : 5.0.2                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1                                  
REMARK 200  MONOCHROMATOR                  : DOUBLE-CRYSTAL, SI(111) LIQUID     
REMARK 200                                   N2 COOLED                          
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 22926                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.800                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 116.200                            
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
REMARK 200  DATA REDUNDANCY                : 4.300                              
REMARK 200  R MERGE                    (I) : 0.09800                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 25.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.90                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 92.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.30                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.460                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: M. JANNASCHII L7AE PROTEIN (PDB ID 1SDS, CHAIN A)    
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 51.14                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.52                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 150   M RNA, 210   M YBXF, 10 MM         
REMARK 280  MGCL2, 10 MM SAM, 40 MM KCL, 20 MM HEPES-KOH, 1 MM SPERMINE, 1 MM   
REMARK 280  COBALT HEXAMMINE, AND 1 MM DTT, 100 MM POTASSIUM CACODYLATE PH      
REMARK 280  6.0, 200 MM MGCL2 AND 25% (V/V) PEG400, VAPOR DIFFUSION, HANGING    
REMARK 280  DROP, TEMPERATURE 294.15K                                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-Z                                                 
REMARK 290       3555   X+1/2,Y+1/2,Z                                           
REMARK 290       4555   -X+1/2,Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       95.88100            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       27.15250            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       95.88100            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       27.15250            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 5510 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 23570 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -87.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 3550 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 23770 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -78.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, D                                  
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   501                                                      
REMARK 465     GLY B   601                                                      
REMARK 465     ALA B   679                                                      
REMARK 465     ILE B   680                                                      
REMARK 465     ILE B   681                                                      
REMARK 465     LEU B   682                                                      
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     ASP A 504    CG   OD1  OD2                                       
REMARK 470     LYS A 505    CG   CD   CE   NZ                                   
REMARK 470     LYS A 510    CG   CD   CE   NZ                                   
REMARK 470     LYS A 517    CG   CD   CE   NZ                                   
REMARK 470     LYS A 521    CD   CE   NZ                                        
REMARK 470     LYS A 529    CG   CD   CE   NZ                                   
REMARK 470     LYS A 535    CD   CE   NZ                                        
REMARK 470     ASP A 538    CG   OD1  OD2                                       
REMARK 470     LEU A 548    CG   CD1  CD2                                       
REMARK 470     ASP A 551    CG   OD1  OD2                                       
REMARK 470     GLU A 560    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 563    CD   CE   NZ                                        
REMARK 470     LYS A 564    CD   CE   NZ                                        
REMARK 470     LYS A 567    CD   CE   NZ                                        
REMARK 470     ILE A 571    CG1  CG2  CD1                                       
REMARK 470     GLU A 572    CG   CD   OE1  OE2                                  
REMARK 470     ILE A 581    CG1  CG2  CD1                                       
REMARK 470     ASP B 604    CG   OD1  OD2                                       
REMARK 470     LYS B 605    CG   CD   CE   NZ                                   
REMARK 470     VAL B 606    CG1  CG2                                            
REMARK 470     GLN B 608    CG   CD   OE1  NE2                                  
REMARK 470     LYS B 610    CD   CE   NZ                                        
REMARK 470     SER B 611    OG                                                  
REMARK 470     ILE B 612    CG1  CG2  CD1                                       
REMARK 470     ILE B 613    CG1  CD1                                            
REMARK 470     ILE B 614    CG1  CG2  CD1                                       
REMARK 470     LYS B 617    CG   CD   CE   NZ                                   
REMARK 470     GLN B 618    CG   CD   OE1  NE2                                  
REMARK 470     LYS B 621    CG   CD   CE   NZ                                   
REMARK 470     LYS B 624    CG   CD   CE   NZ                                   
REMARK 470     ARG B 625    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS B 629    CG   CD   CE   NZ                                   
REMARK 470     GLU B 630    CG   CD   OE1  OE2                                  
REMARK 470     VAL B 633    CG1  CG2                                            
REMARK 470     LYS B 635    CG   CD   CE   NZ                                   
REMARK 470     ASP B 638    CG   OD1  OD2                                       
REMARK 470     ILE B 640    CG1  CG2  CD1                                       
REMARK 470     SER B 644    OG                                                  
REMARK 470     LEU B 648    CG   CD1  CD2                                       
REMARK 470     GLU B 650    CG   CD   OE1  OE2                                  
REMARK 470     ASP B 651    CG   OD1  OD2                                       
REMARK 470     GLN B 652    CD   OE1  NE2                                       
REMARK 470     ILE B 654    CD1                                                 
REMARK 470     SER B 655    OG                                                  
REMARK 470     VAL B 656    CG1  CG2                                            
REMARK 470     SER B 657    OG                                                  
REMARK 470     VAL B 659    CG1  CG2                                            
REMARK 470     GLU B 660    CG   CD   OE1  OE2                                  
REMARK 470     SER B 661    OG                                                  
REMARK 470     LYS B 663    CD   CE   NZ                                        
REMARK 470     LYS B 664    CD   CE   NZ                                        
REMARK 470     LEU B 665    CG   CD1  CD2                                       
REMARK 470     LYS B 667    CG   CD   CE   NZ                                   
REMARK 470     ILE B 671    CG1  CG2  CD1                                       
REMARK 470     GLU B 672    CG   CD   OE1  OE2                                  
REMARK 470       A C   9    N9   C8   N7   C5   C6   N6   N1                    
REMARK 470       A C   9    C2   N3   C4                                        
REMARK 470       A D 209    N9   C8   N7   C5   C6   N6   N1                    
REMARK 470       A D 209    C2   N3   C4                                        
REMARK 470       A D 214    N9   C8   N7   C5   C6   N6   N1                    
REMARK 470       A D 214    C2   N3   C4                                        
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O2'    A D   246     OP2    C D   247              1.92            
REMARK 500   OP2    A C    10     N6   NCO C   905              2.18            
REMARK 500   OP2    G D   306     O    HOH D   504              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500      U D 234   C4      U D 234   O4      0.098                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500      G C  15   O5' -  P   -  OP2 ANGL. DEV. =  -5.7 DEGREES          
REMARK 500      G C  15   O3' -  P   -  OP2 ANGL. DEV. =   7.0 DEGREES          
REMARK 500      G C  19   C2' -  C3' -  O3' ANGL. DEV. =  11.7 DEGREES          
REMARK 500      A C  24   O5' -  P   -  OP1 ANGL. DEV. =  -6.2 DEGREES          
REMARK 500      U C  34   C5' -  C4' -  C3' ANGL. DEV. = -10.1 DEGREES          
REMARK 500      G C  35   N9  -  C1' -  C2' ANGL. DEV. =   8.3 DEGREES          
REMARK 500      A D 220   C2' -  C3' -  O3' ANGL. DEV. =  10.2 DEGREES          
REMARK 500      A D 224   O5' -  P   -  OP1 ANGL. DEV. =  -5.8 DEGREES          
REMARK 500      A D 233   C2' -  C3' -  O3' ANGL. DEV. =  14.0 DEGREES          
REMARK 500      U D 234   C2' -  C3' -  O3' ANGL. DEV. =  10.2 DEGREES          
REMARK 500      U D 234   N1  -  C2  -  N3  ANGL. DEV. =   4.2 DEGREES          
REMARK 500      U D 234   C2  -  N3  -  C4  ANGL. DEV. =  -6.9 DEGREES          
REMARK 500      U D 234   N3  -  C4  -  C5  ANGL. DEV. =   7.3 DEGREES          
REMARK 500      U D 234   C5  -  C4  -  O4  ANGL. DEV. =  -5.6 DEGREES          
REMARK 500      A D 246   C2' -  C3' -  O3' ANGL. DEV. =  17.3 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    LYS A 517      -71.18    -45.77                                   
REMARK 500    LYS A 524       18.64    -68.03                                   
REMARK 500    ARG A 525       32.18   -153.47                                   
REMARK 500    ASP A 536      -16.47    -47.84                                   
REMARK 500    GLN B 608       45.34   -175.16                                   
REMARK 500    LYS B 610      -86.21    -91.47                                   
REMARK 500    SER B 627       48.63    -85.86                                   
REMARK 500    LYS B 629      -74.90    -89.63                                   
REMARK 500    ASP B 636      -23.24   -150.00                                   
REMARK 500    SER B 643      -52.16   -128.26                                   
REMARK 500    SER B 644        3.67    -65.39                                   
REMARK 500    LEU B 648       27.66    -73.96                                   
REMARK 500    ALA B 649      -64.64   -141.18                                   
REMARK 500    ALA B 668       34.23    -71.02                                   
REMARK 500    CYS B 669      -20.83   -155.81                                   
REMARK 500    GLU B 672       35.19    -83.29                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500      A C  24         0.07    SIDE CHAIN                              
REMARK 500      G C  28         0.06    SIDE CHAIN                              
REMARK 500      G C  43         0.06    SIDE CHAIN                              
REMARK 500      C C  44         0.06    SIDE CHAIN                              
REMARK 500      A C  46         0.07    SIDE CHAIN                              
REMARK 500      G C  90         0.05    SIDE CHAIN                              
REMARK 500      A D 224         0.07    SIDE CHAIN                              
REMARK 500      G D 243         0.05    SIDE CHAIN                              
REMARK 500      C D 244         0.07    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG C 924  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   G C  18   O6                                                     
REMARK 620 2 HOH C1002   O    74.1                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG D 415  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   G D 218   O6                                                     
REMARK 620 2 HOH D 505   O   123.0                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG C 919  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1   G C   1   O5'                                                    
REMARK 620 2 HOH D 501   O   152.7                                              
REMARK 620 3 HOH C1003   O    61.0 107.8                                        
REMARK 620 4 HOH D 502   O    83.1 123.7  93.0                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG D 408  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH D 507   O                                                      
REMARK 620 2 HOH D 506   O    71.2                                              
REMARK 620 N                    1                                               
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG C 923  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH C1001   O                                                      
REMARK 620 2 HOH C1005   O   169.2                                              
REMARK 620 3 HOH C1004   O   101.7  75.0                                        
REMARK 620 N                    1     2                                         
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG D 414  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH D 503   O                                                      
REMARK 620 2 HOH D 504   O   162.1                                              
REMARK 620 N                    1                                               
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO C 901                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO C 902                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO C 903                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO C 904                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO C 905                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO C 906                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO C 907                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO C 908                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO C 909                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO C 910                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO C 911                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO C 912                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SAM C 913                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 914                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 917                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 918                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 919                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 920                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 921                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 922                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 923                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 924                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG C 926                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO D 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO D 402                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO D 403                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO D 404                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO D 405                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO D 406                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SAM D 407                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG D 408                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG D 409                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG D 410                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG D 412                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG D 413                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG D 414                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG D 415                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG D 416                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3V7Q   RELATED DB: PDB                                   
DBREF  3V7E A  502   582  UNP    P46350   RXL7_BACSU       2     82             
DBREF  3V7E B  602   682  UNP    P46350   RXL7_BACSU       2     82             
DBREF  3V7E C    1   126  PDB    3V7E     3V7E             1    126             
DBREF  3V7E D  201   326  PDB    3V7E     3V7E           201    326             
SEQADV 3V7E GLY A  501  UNP  P46350              EXPRESSION TAG                 
SEQADV 3V7E GLY B  601  UNP  P46350              EXPRESSION TAG                 
SEQRES   1 A   82  GLY SER TYR ASP LYS VAL SER GLN ALA LYS SER ILE ILE          
SEQRES   2 A   82  ILE GLY THR LYS GLN THR VAL LYS ALA LEU LYS ARG GLY          
SEQRES   3 A   82  SER VAL LYS GLU VAL VAL VAL ALA LYS ASP ALA ASP PRO          
SEQRES   4 A   82  ILE LEU THR SER SER VAL VAL SER LEU ALA GLU ASP GLN          
SEQRES   5 A   82  GLY ILE SER VAL SER MET VAL GLU SER MET LYS LYS LEU          
SEQRES   6 A   82  GLY LYS ALA CYS GLY ILE GLU VAL GLY ALA ALA ALA VAL          
SEQRES   7 A   82  ALA ILE ILE LEU                                              
SEQRES   1 B   82  GLY SER TYR ASP LYS VAL SER GLN ALA LYS SER ILE ILE          
SEQRES   2 B   82  ILE GLY THR LYS GLN THR VAL LYS ALA LEU LYS ARG GLY          
SEQRES   3 B   82  SER VAL LYS GLU VAL VAL VAL ALA LYS ASP ALA ASP PRO          
SEQRES   4 B   82  ILE LEU THR SER SER VAL VAL SER LEU ALA GLU ASP GLN          
SEQRES   5 B   82  GLY ILE SER VAL SER MET VAL GLU SER MET LYS LYS LEU          
SEQRES   6 B   82  GLY LYS ALA CYS GLY ILE GLU VAL GLY ALA ALA ALA VAL          
SEQRES   7 B   82  ALA ILE ILE LEU                                              
SEQRES   1 C  126    G   G   C   U   U   A   U   C   A   A   G   A   G          
SEQRES   2 C  126    A   G   G   U   G   G   A   G   G   G   A   C   U          
SEQRES   3 C  126    G   G   C   C   C   G   A   U   G   A   A   A   C          
SEQRES   4 C  126    C   C   G   G   C   A   A   C   C   A   C   U   A          
SEQRES   5 C  126    G   U   C   U   A   G   C   G   U   C   A   G   C          
SEQRES   6 C  126    U   U   C   G   G   C   U   G   A   C   G   C   U          
SEQRES   7 C  126    A   G   G   C   U   A   G   U   G   G   U   G   C          
SEQRES   8 C  126    C   A   A   U   U   C   C   U   G   C   A   G   C          
SEQRES   9 C  126    G   G   A   A   A   C   G   U   U   G   A   A   A          
SEQRES  10 C  126    G   A   U   G   A   G   C   C   A                          
SEQRES   1 D  126    G   G   C   U   U   A   U   C   A   A   G   A   G          
SEQRES   2 D  126    A   G   G   U   G   G   A   G   G   G   A   C   U          
SEQRES   3 D  126    G   G   C   C   C   G   A   U   G   A   A   A   C          
SEQRES   4 D  126    C   C   G   G   C   A   A   C   C   A   C   U   A          
SEQRES   5 D  126    G   U   C   U   A   G   C   G   U   C   A   G   C          
SEQRES   6 D  126    U   U   C   G   G   C   U   G   A   C   G   C   U          
SEQRES   7 D  126    A   G   G   C   U   A   G   U   G   G   U   G   C          
SEQRES   8 D  126    C   A   A   U   U   C   C   U   G   C   A   G   C          
SEQRES   9 D  126    G   G   A   A   A   C   G   U   U   G   A   A   A          
SEQRES  10 D  126    G   A   U   G   A   G   C   C   A                          
HET    NCO  C 901       7                                                       
HET    NCO  C 902       7                                                       
HET    NCO  C 903       7                                                       
HET    NCO  C 904       7                                                       
HET    NCO  C 905       7                                                       
HET    NCO  C 906       7                                                       
HET    NCO  C 907       7                                                       
HET    NCO  C 908       7                                                       
HET    NCO  C 909       7                                                       
HET    NCO  C 910       7                                                       
HET    NCO  C 911       7                                                       
HET    NCO  C 912       7                                                       
HET    SAM  C 913      27                                                       
HET     MG  C 914       1                                                       
HET     MG  C 915       1                                                       
HET     MG  C 916       1                                                       
HET     MG  C 917       1                                                       
HET     MG  C 918       1                                                       
HET     MG  C 919       1                                                       
HET     MG  C 920       1                                                       
HET     MG  C 921       1                                                       
HET     MG  C 922       1                                                       
HET     MG  C 923       1                                                       
HET     MG  C 924       1                                                       
HET     MG  C 925       1                                                       
HET     MG  C 926       1                                                       
HET    NCO  D 401       7                                                       
HET    NCO  D 402       7                                                       
HET    NCO  D 403       7                                                       
HET    NCO  D 404       7                                                       
HET    NCO  D 405       7                                                       
HET    NCO  D 406       7                                                       
HET    SAM  D 407      27                                                       
HET     MG  D 408       1                                                       
HET     MG  D 409       1                                                       
HET     MG  D 410       1                                                       
HET     MG  D 411       1                                                       
HET     MG  D 412       1                                                       
HET     MG  D 413       1                                                       
HET     MG  D 414       1                                                       
HET     MG  D 415       1                                                       
HET     MG  D 416       1                                                       
HETNAM     NCO COBALT HEXAMMINE(III)                                            
HETNAM     SAM S-ADENOSYLMETHIONINE                                             
HETNAM      MG MAGNESIUM ION                                                    
FORMUL   5  NCO    18(CO H18 N6 3+)                                             
FORMUL  17  SAM    2(C15 H22 N6 O5 S)                                           
FORMUL  18   MG    22(MG 2+)                                                    
FORMUL  47  HOH   *15(H2 O)                                                     
HELIX    1   1 SER A  502  ALA A  509  1                                   8    
HELIX    2   2 GLY A  515  LYS A  524  1                                  10    
HELIX    3   3 ASP A  538  GLY A  553  1                                  16    
HELIX    4   4 SER A  561  CYS A  569  1                                   9    
HELIX    5   5 TYR B  603  SER B  607  1                                   5    
HELIX    6   6 GLY B  615  LEU B  623  1                                   9    
HELIX    7   7 VAL B  646  ASP B  651  1                                   6    
HELIX    8   8 LYS B  663  ALA B  668  1                                   6    
SHEET    1   A 4 SER A 511  ILE A 514  0                                        
SHEET    2   A 4 ALA A 577  ILE A 581 -1  O  ALA A 579   N  ILE A 513           
SHEET    3   A 4 VAL A 528  ALA A 534 -1  N  VAL A 532   O  VAL A 578           
SHEET    4   A 4 VAL A 556  VAL A 559  1  O  SER A 557   N  VAL A 531           
SHEET    1   B 2 GLU B 630  VAL B 631  0                                        
SHEET    2   B 2 SER B 655  VAL B 656  1  O  SER B 655   N  VAL B 631           
LINK         OP1   G D 300                MG    MG D 410     1555   1555  1.87  
LINK         OP1   G C 100                MG    MG C 918     1555   1555  1.91  
LINK         O6    G C  18                MG    MG C 924     1555   1555  1.97  
LINK         O5'   G D 201                MG    MG D 409     1555   1555  2.09  
LINK         O6    G D 218                MG    MG D 415     1555   1555  2.11  
LINK         OP2   A D 316                MG    MG D 416     1555   1555  2.49  
LINK         O5'   G C   1                MG    MG C 919     1555   1555  2.56  
LINK         O2    C D 324                MG    MG D 413     1555   1555  2.73  
LINK         O6    G D 213                MG    MG D 412     1555   1555  2.80  
LINK        MG    MG D 408                 O   HOH D 507     1555   1555  1.75  
LINK        MG    MG C 914                 O   HOH C1007     1555   1555  1.75  
LINK        MG    MG C 923                 O   HOH C1001     1555   1555  1.80  
LINK        MG    MG C 919                 O   HOH D 501     1555   1555  1.84  
LINK        MG    MG C 923                 O   HOH C1005     1555   1555  1.89  
LINK        MG    MG C 919                 O   HOH C1003     1555   1555  2.13  
LINK        MG    MG C 919                 O   HOH D 502     1555   1555  2.22  
LINK        MG    MG C 923                 O   HOH C1004     1555   1555  2.30  
LINK        MG    MG D 408                 O   HOH D 506     1555   1555  2.32  
LINK        MG    MG D 414                 O   HOH D 503     1555   1555  2.37  
LINK        MG    MG C 924                 O   HOH C1002     1555   1555  2.42  
LINK        MG    MG D 415                 O   HOH D 505     1555   1555  2.43  
LINK        MG    MG D 414                 O   HOH D 504     1555   1555  2.48  
SITE     1 AC1  7   U C   4    U C   5    A C   6    A C 119                    
SITE     2 AC1  7   U C 120    G C 121    A C 122                               
SITE     1 AC2  5   G C  23    C C  25    U C  26    G C  27                    
SITE     2 AC2  5   G C  28                                                     
SITE     1 AC3  6   C C  59    G C  60    U C  61    G C  73                    
SITE     2 AC3  6   A C  74  NCO C 909                                          
SITE     1 AC4  4   A C  45    A C  46    G C  87    G C  88                    
SITE     1 AC5  6   A C  10    G C  11    A C  12    A C  94                    
SITE     2 AC5  6   U C  95    U C  96                                          
SITE     1 AC6  3   U C 113    G C 114    A C 115                               
SITE     1 AC7  8   A C  24    C C  25    U C  96    C C  98                    
SITE     2 AC7  8   U C  99    G C 100    A C 116    A C 117                    
SITE     1 AC8  3   C C  41    G C  42    G C  43                               
SITE     1 AC9  2   C C  59  NCO C 903                                          
SITE     1 BC1  3   A C  46    A C  84    G C  85                               
SITE     1 BC2  5   G C  53    U C  54    A C  79    G C  80                    
SITE     2 BC2  5   G C  81                                                     
SITE     1 BC3  3   C C  62    A C  63    G C  64                               
SITE     1 BC4  8   U C   7    G C  11    A C  45    C C  47                    
SITE     2 BC4  8   U C  89    G C  90    U C 120    G C 121                    
SITE     1 BC5  4   G C  13    G C  42    C C  92  HOH C1007                    
SITE     1 BC6  1   A C  36                                                     
SITE     1 BC7  3   G C 100    C C 101    A C 102                               
SITE     1 BC8  4   G C   1  HOH C1003  HOH D 501  HOH D 502                    
SITE     1 BC9  1   G C  19                                                     
SITE     1 CC1  2   U C  83    A C  84                                          
SITE     1 CC2  2   C C 104    G C 105                                          
SITE     1 CC3  3 HOH C1001  HOH C1004  HOH C1005                               
SITE     1 CC4  4   G C  18    G C  19    G C  35  HOH C1002                    
SITE     1 CC5  2   C C   3  HOH C1006                                          
SITE     1 CC6  5   U D 204    U D 205    A D 319    U D 320                    
SITE     2 CC6  5   G D 321                                                     
SITE     1 CC7  5   A D 210    G D 211    A D 294    U D 295                    
SITE     2 CC7  5   U D 296                                                     
SITE     1 CC8  6   A D 245    A D 246    U D 286    G D 287                    
SITE     2 CC8  6   G D 288    U D 289                                          
SITE     1 CC9  7   G D 223    C D 225    U D 226    G D 227                    
SITE     2 CC9  7   G D 228    C D 229  HOH D 502                               
SITE     1 DC1  3   U D 313    G D 314    A D 315                               
SITE     1 DC2  4   C D 259    G D 260    U D 261    G D 273                    
SITE     1 DC3 11   U D 207    C D 208    G D 211    A D 245                    
SITE     2 DC3 11   A D 246    C D 247    U D 289    G D 290                    
SITE     3 DC3 11   C D 291    U D 320    G D 321                               
SITE     1 DC4  4   U D 299    G D 300  HOH D 506  HOH D 507                    
SITE     1 DC5  1   G D 201                                                     
SITE     1 DC6  1   G D 300                                                     
SITE     1 DC7  2   G D 213    G D 242                                          
SITE     1 DC8  2   C D 203    C D 324                                          
SITE     1 DC9  2 HOH D 503  HOH D 504                                          
SITE     1 EC1  3   U D 217    G D 218  HOH D 505                               
SITE     1 EC2  1   A D 316                                                     
CRYST1  191.762   54.305  106.366  90.00 116.56  90.00 C 1 2 1       8          
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      0.005215  0.000000  0.002607        0.00000                         
SCALE2      0.000000  0.018415  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010511        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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