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Database: PDB
Entry: 4TZV
LinkDB: 4TZV
Original site: 4TZV 
HEADER    RIBOSOMAL PROTEIN/RNA                   11-JUL-14   4TZV              
TITLE     CO-CRYSTALS OF THE TERNARY COMPLEX CONTAINING A T-BOX STEM I RNA, ITS 
TITLE    2 COGNATE TRNAGLY, AND B. SUBTILIS YBXF PROTEIN, TREATED BY REMOVING   
TITLE    3 LITHIUM SULFATE POST CRYSTALLIZATION                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RIBOSOME-ASSOCIATED PROTEIN L7AE-LIKE;                     
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: ENGINEERED TRNA;                                           
COMPND   7 CHAIN: B;                                                            
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 3;                                                           
COMPND  10 MOLECULE: T-BOX STEM I;                                              
COMPND  11 CHAIN: C;                                                            
COMPND  12 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
SOURCE   3 ORGANISM_TAXID: 1423;                                                
SOURCE   4 GENE: RPLGB, YBAB, YBXF, BSU01090;                                   
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 MOL_ID: 2;                                                           
SOURCE  10 SYNTHETIC: YES;                                                      
SOURCE  11 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
SOURCE  12 ORGANISM_TAXID: 1423;                                                
SOURCE  13 MOL_ID: 3;                                                           
SOURCE  14 SYNTHETIC: YES;                                                      
SOURCE  15 ORGANISM_SCIENTIFIC: OCEANOBACILLUS IHEYENSIS HTE831;                
SOURCE  16 ORGANISM_TAXID: 221109                                               
KEYWDS    RNA, RIBOSWITCH, TRNA, T-BOX, RIBOSOMAL PROTEIN-RNA COMPLEX           
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.ZHANG,A.R.FERRE-D'AMARE                                             
REVDAT   2   24-SEP-14 4TZV    1       JRNL                                     
REVDAT   1   10-SEP-14 4TZV    0                                                
JRNL        AUTH   J.ZHANG,A.R.FERRE-D'AMARE                                    
JRNL        TITL   DRAMATIC IMPROVEMENT OF CRYSTALS OF LARGE RNAS BY CATION     
JRNL        TITL 2 REPLACEMENT AND DEHYDRATION.                                 
JRNL        REF    STRUCTURE                     V.  22  1363 2014              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   25185828                                                     
JRNL        DOI    10.1016/J.STR.2014.07.011                                    
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   J.ZHANG,A.R.FERRE-D'AMARE                                    
REMARK   1  TITL   CO-CRYSTAL STRUCTURE OF A T-BOX RIBOSWITCH STEM I DOMAIN IN  
REMARK   1  TITL 2 COMPLEX WITH ITS COGNATE TRNA.                               
REMARK   1  REF    NATURE                        V. 500   363 2013              
REMARK   1  REFN                   ESSN 1476-4687                               
REMARK   1  PMID   23892783                                                     
REMARK   1  DOI    10.1038/NATURE12440                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION.    5.03 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.8.4_1496)                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 5.03                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 46.03                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 3743                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.282                           
REMARK   3   R VALUE            (WORKING SET) : 0.278                           
REMARK   3   FREE R VALUE                     : 0.325                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.020                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 375                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 46.0356 -  7.2422    1.00     1196   133  0.2411 0.2902        
REMARK   3     2  7.2422 -  5.7519    1.00     1103   123  0.3694 0.3942        
REMARK   3     3  5.7519 -  5.0300    0.99     1069   119  0.3728 0.4062        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.650            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 44.340           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.007           4769                                  
REMARK   3   ANGLE     :  1.272           7334                                  
REMARK   3   CHIRALITY :  0.053            983                                  
REMARK   3   PLANARITY :  0.005            265                                  
REMARK   3   DIHEDRAL  : 18.518           2286                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4TZV COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-JUL-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000202579.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 13-AUG-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5-7.0                            
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
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) : 0.9793                             
REMARK 200  MONOCHROMATOR                  : KOHZU HLD8-24 MONOCHROMATOR        
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 3756                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 5.030                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 46.030                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.8                               
REMARK 200  DATA REDUNDANCY                : 13.00                              
REMARK 200  R MERGE                    (I) : 0.07600                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 13.5000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 5.03                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 5.20                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 13.30                              
REMARK 200  R MERGE FOR SHELL          (I) : 1.82800                            
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: NULL                                                  
REMARK 200 STARTING MODEL: 4LCK                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 58.23                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.94                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 50 MM BIS-TRIS (HCL) PH 6.5, 300 MM      
REMARK 280  LI2SO4, AND 20% (W/V) PEG3350, VAPOR DIFFUSION, HANGING DROP,       
REMARK 280  TEMPERATURE 293K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -Y+1/2,X+1/2,Z+3/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+1/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+3/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+1/4                                     
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z+1/2                                            
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      135.10000            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       37.87100            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       37.87100            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000      202.65000            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       37.87100            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       37.87100            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       67.55000            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       37.87100            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       37.87100            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000      202.65000            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       37.87100            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       37.87100            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       67.55000            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000      135.10000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY A     1                                                      
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   4    CG   OD1  OD2                                       
REMARK 470     LYS A   5    CG   CD   CE   NZ                                   
REMARK 470     LYS A  10    CG   CD   CE   NZ                                   
REMARK 470     LYS A  17    CG   CD   CE   NZ                                   
REMARK 470     LYS A  21    CD   CE   NZ                                        
REMARK 470     LYS A  29    CG   CD   CE   NZ                                   
REMARK 470     LYS A  35    CD   CE   NZ                                        
REMARK 470     ASP A  38    CG   OD1  OD2                                       
REMARK 470     LEU A  48    CG   CD1  CD2                                       
REMARK 470     ASP A  51    CG   OD1  OD2                                       
REMARK 470     GLU A  60    CG   CD   OE1  OE2                                  
REMARK 470     LYS A  63    CD   CE   NZ                                        
REMARK 470     LYS A  64    CD   CE   NZ                                        
REMARK 470     LYS A  67    CD   CE   NZ                                        
REMARK 470     ILE A  71    CG1  CG2  CD1                                       
REMARK 470     GLU A  72    CG   CD   OE1  OE2                                  
REMARK 470     ILE A  81    CG1  CG2  CD1                                       
REMARK 470       U B  16    N1   C2   O2   N3   C4   O4   C5                    
REMARK 470       U B  16    C6                                                  
REMARK 470       U B  46    N1   C2   O2   N3   C4   O4   C5                    
REMARK 470       U B  46    C6                                                  
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   O6     G B    33     N4     C C    89              1.14            
REMARK 500   N1     G B    33     N3     C C    89              1.39            
REMARK 500   N4     C B    35     N1     G C    87              1.68            
REMARK 500   O2     C B    34     N2     G C    88              1.71            
REMARK 500   N4     C B    34     O6     G C    88              1.74            
REMARK 500   N3     C B    34     N1     G C    88              1.78            
REMARK 500   N2     G B    33     O2     C C    89              1.96            
REMARK 500   N3     C B    35     N2     G C    87              1.96            
REMARK 500   N3     C B    34     N2     G C    88              1.97            
REMARK 500   C6     G B    33     N4     C C    89              1.98            
REMARK 500   C2     C B    34     N2     G C    88              2.01            
REMARK 500   N4     C B    34     N1     G C    88              2.07            
REMARK 500   N1     G B    33     C4     C C    89              2.13            
REMARK 500   N3     C B    34     C2     G C    88              2.17            
REMARK 500   N4     C B    34     C6     G C    88              2.17            
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      A B  73   N9      A B  73   C4      0.039                       
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 B  18   C8  -  N9  -  C4  ANGL. DEV. =   2.8 DEGREES          
REMARK 500      U B  19   C3' -  O3' -  P   ANGL. DEV. =   7.7 DEGREES          
REMARK 500      G B  76   C5  -  C6  -  N1  ANGL. DEV. =   3.8 DEGREES          
REMARK 500      G C   1   N3  -  C4  -  C5  ANGL. DEV. =  -3.1 DEGREES          
REMARK 500      C C  34   C5  -  C6  -  N1  ANGL. DEV. =   3.4 DEGREES          
REMARK 500      A C  39   C2  -  N3  -  C4  ANGL. DEV. =  -3.5 DEGREES          
REMARK 500      G C  43   N3  -  C4  -  C5  ANGL. DEV. =   4.2 DEGREES          
REMARK 500      G C  43   C5  -  N7  -  C8  ANGL. DEV. =  -3.9 DEGREES          
REMARK 500      G C  43   N7  -  C8  -  N9  ANGL. DEV. =   5.0 DEGREES          
REMARK 500      G C  43   C8  -  N9  -  C4  ANGL. DEV. =  -4.0 DEGREES          
REMARK 500      G C  43   N3  -  C4  -  N9  ANGL. DEV. =  -5.4 DEGREES          
REMARK 500      C C  44   C6  -  N1  -  C2  ANGL. DEV. =   4.3 DEGREES          
REMARK 500      C C  44   N1  -  C2  -  N3  ANGL. DEV. =  -4.3 DEGREES          
REMARK 500      U C  50   O5' -  P   -  OP2 ANGL. DEV. =  -6.9 DEGREES          
REMARK 500      G C  63   C8  -  N9  -  C4  ANGL. DEV. =  -2.9 DEGREES          
REMARK 500      C C  94   C5  -  C6  -  N1  ANGL. DEV. =   3.4 DEGREES          
REMARK 500      C C 101   N3  -  C2  -  O2  ANGL. DEV. =  -4.6 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    GLN A   8     -136.30    -86.24                                   
REMARK 500    ALA A   9      166.90     62.00                                   
REMARK 500    GLU A  60      -72.91    -67.08                                   
REMARK 500    VAL A  73      -22.73   -140.48                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4LCK   RELATED DB: PDB                                   
REMARK 900 4LCK CONTAINS STRUCTURE FROM FULLY-TREATED CRYSTALS                  
REMARK 900 RELATED ID: 4TZP   RELATED DB: PDB                                   
REMARK 900 4TZP CONTAINS AS GROWN CO-CRYSTALS THAT WERE NOT TREATED POST        
REMARK 900 CRYSTALLIZATION                                                      
REMARK 900 RELATED ID: 4TZW   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4TZX   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4TZY   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4TZZ   RELATED DB: PDB                                   
DBREF  4TZV A    2    82  UNP    P46350   RXL7_BACSU       2     82             
DBREF  4TZV B    5    79  PDB    4TZV     4TZV             5     79             
DBREF  4TZV C    1   102  PDB    4TZV     4TZV             1    102             
SEQADV 4TZV GLY A    1  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 MSE VAL GLU SER MSE 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   75    G   A   G   U   A   G   U   U   C   A   G   U   G          
SEQRES   2 B   75    G   U   A   G   A   A   C   A   C   C   A   C   C          
SEQRES   3 B   75    U   U   G   C   C   A   A   G   G   U   G   G   G          
SEQRES   4 B   75    G   G   U   C   G   C   G   G   G   U   U   C   G          
SEQRES   5 B   75    A   A   U   C   C   C   G   U   C   U   C   G   G          
SEQRES   6 B   75    G   C   G   A   A   A   G   C   C   C                      
SEQRES   1 C  102    G   G   G   U   G   C   G   A   U   G   A   G   A          
SEQRES   2 C  102    A   G   A   A   G   A   G   U   A   U   U   A   A          
SEQRES   3 C  102    G   G   A   U   U   U   A   C   U   A   U   G   A          
SEQRES   4 C  102    U   U   A   G   C   G   A   C   U   C   U   A   G          
SEQRES   5 C  102    G   A   U   A   G   U   G   A   A   A   G   C   U          
SEQRES   6 C  102    A   G   A   G   G   A   U   A   G   U   A   A   C          
SEQRES   7 C  102    C   U   U   A   A   G   A   A   G   G   C   A   C          
SEQRES   8 C  102    U   U   C   G   A   G   C   A   C   C   C                  
MODRES 4TZV MSE A   58  MET  MODIFIED RESIDUE                                   
MODRES 4TZV MSE A   62  MET  MODIFIED RESIDUE                                   
HET    MSE  A  58       8                                                       
HET    MSE  A  62       8                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
FORMUL   1  MSE    2(C5 H11 N O2 SE)                                            
HELIX    1 AA1 SER A    2  GLN A    8  1                                   7    
HELIX    2 AA2 GLY A   15  LYS A   24  1                                  10    
HELIX    3 AA3 ASP A   38  GLY A   53  1                                  16    
HELIX    4 AA4 MSE A   62  GLY A   70  1                                   9    
SHEET    1 AA1 4 ILE A  12  ILE A  14  0                                        
SHEET    2 AA1 4 ALA A  77  ILE A  80 -1  O  ALA A  79   N  ILE A  13           
SHEET    3 AA1 4 GLU A  30  ALA A  34 -1  N  VAL A  32   O  VAL A  78           
SHEET    4 AA1 4 VAL A  56  VAL A  59  1  O  VAL A  59   N  VAL A  33           
LINK         C   SER A  57                 N   MSE A  58     1555   1555  1.33  
LINK         C   MSE A  58                 N   VAL A  59     1555   1555  1.33  
LINK         C   SER A  61                 N   MSE A  62     1555   1555  1.33  
LINK         C   MSE A  62                 N   LYS A  63     1555   1555  1.33  
CRYST1   75.742   75.742  270.200  90.00  90.00  90.00 P 43 21 2     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      0.013203  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.013203  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.003701        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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