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Database: PDB
Entry: 5NR3
LinkDB: 5NR3
Original site: 5NR3 
HEADER    TRANSFERASE                             21-APR-17   5NR3              
TITLE     HUMAN DNMT3B PWWP DOMAIN IN COMPLEX WITH ETHAMBUTOL                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA (CYTOSINE-5)-METHYLTRANSFERASE 3B;                     
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 218-367;                                      
COMPND   5 SYNONYM: DNMT3B,DNA METHYLTRANSFERASE HSAIIIB,M.HSAIIIB;             
COMPND   6 EC: 2.1.1.37;                                                        
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: DNMT3B;                                                        
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET28-MHL                                 
KEYWDS    DNMT3B PWWP DOMAIN, HISTONE BINDING, BETA BARREL, LIGAND, TRANSFERASE 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    G.RONDELET,J.WOUTERS                                                  
REVDAT   1   30-MAY-18 5NR3    0                                                
JRNL        AUTH   G.RONDELET,T.DAL MASO,A.MANIQUET,Q.THEMANS,J.WOUTERS         
JRNL        TITL   TARGETING PWWP DOMAIN OF DNA METHYLTRANSFERASE 3B FOR        
JRNL        TITL 2 EPIGENETIC CANCER THERAPY: IDENTIFICATION AND STRUCTURAL     
JRNL        TITL 3 CHARACTERIZATION OF NEW POTENTIAL PROTEIN-PROTEIN            
JRNL        TITL 4 INTERACTION INHIBITORS                                       
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.8.1_1168                                    
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 : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 40.39                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.360                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 22761                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.198                           
REMARK   3   R VALUE            (WORKING SET) : 0.196                           
REMARK   3   FREE R VALUE                     : 0.238                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1137                            
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 40.3975 -  4.5982    1.00     2864   149  0.2082 0.2159        
REMARK   3     2  4.5982 -  3.6505    1.00     2745   145  0.1653 0.2043        
REMARK   3     3  3.6505 -  3.1893    1.00     2698   142  0.1822 0.2257        
REMARK   3     4  3.1893 -  2.8978    1.00     2686   141  0.2060 0.2775        
REMARK   3     5  2.8978 -  2.6901    1.00     2655   140  0.2043 0.2668        
REMARK   3     6  2.6901 -  2.5315    1.00     2671   140  0.2103 0.2918        
REMARK   3     7  2.5315 -  2.4048    1.00     2660   140  0.2248 0.2893        
REMARK   3     8  2.4048 -  2.3001    1.00     2645   140  0.2437 0.3063        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
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)     : 0.250            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 24.440           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 40.66                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 35.93                          
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      :  0.008           2206                                  
REMARK   3   ANGLE     :  1.125           2960                                  
REMARK   3   CHIRALITY :  0.079            290                                  
REMARK   3   PLANARITY :  0.004            362                                  
REMARK   3   DIHEDRAL  : 15.571            794                                  
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 5NR3 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 21-APR-17.                  
REMARK 100 THE DEPOSITION ID IS D_1200004560.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 19-SEP-15                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.7-6.7                            
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SOLEIL                             
REMARK 200  BEAMLINE                       : PROXIMA 2                          
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9801                             
REMARK 200  MONOCHROMATOR                  : CRYOGENICALLY COOLED CHANNEL-CUT   
REMARK 200                                   SI[111]                            
REMARK 200  OPTICS                         : X-RAY FLUORESCCENCE DETECTOR       
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 22766                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 40.391                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.7                               
REMARK 200  DATA REDUNDANCY                : 9.600                              
REMARK 200  R MERGE                    (I) : 0.07800                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 27.0000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.43                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 9.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.87300                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.870                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER, PHASER                                        
REMARK 200 STARTING MODEL: 3QKJ                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 66.82                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.71                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M MES,0.2 M LI2SO4, 23-33% PEG       
REMARK 280  3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K               
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+1/3                                           
REMARK 290       6555   -X,-X+Y,-Z+2/3                                          
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000      103.86667            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       51.93333            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       51.93333            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000      103.86667            
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
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     GLU A   206                                                      
REMARK 465     ALA A   207                                                      
REMARK 465     ASP A   208                                                      
REMARK 465     SER A   209                                                      
REMARK 465     GLY A   210                                                      
REMARK 465     ASP A   211                                                      
REMARK 465     GLY A   212                                                      
REMARK 465     ASP A   213                                                      
REMARK 465     SER A   214                                                      
REMARK 465     SER A   215                                                      
REMARK 465     SER A   319                                                      
REMARK 465     SER A   320                                                      
REMARK 465     PRO A   321                                                      
REMARK 465     GLY A   322                                                      
REMARK 465     ASN A   351                                                      
REMARK 465     ASN A   352                                                      
REMARK 465     THR A   353                                                      
REMARK 465     GLN A   354                                                      
REMARK 465     PRO A   355                                                      
REMARK 465     GLU B   206                                                      
REMARK 465     ALA B   207                                                      
REMARK 465     ASP B   208                                                      
REMARK 465     SER B   209                                                      
REMARK 465     GLY B   210                                                      
REMARK 465     ASP B   211                                                      
REMARK 465     GLY B   212                                                      
REMARK 465     ASP B   213                                                      
REMARK 465     SER B   214                                                      
REMARK 465     SER B   215                                                      
REMARK 465     SER B   319                                                      
REMARK 465     SER B   320                                                      
REMARK 465     PRO B   321                                                      
REMARK 465     GLY B   322                                                      
REMARK 465     ASN B   351                                                      
REMARK 465     ASN B   352                                                      
REMARK 465     THR B   353                                                      
REMARK 465     GLN B   354                                                      
REMARK 465     PRO B   355                                                      
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   O    HOH B   566     O    HOH B   567              2.14            
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    TYR A 217       41.33     71.22                                   
REMARK 500    GLN A 218       70.55   -106.11                                   
REMARK 500    PHE A 223      121.10     72.90                                   
REMARK 500    LYS A 251     -104.88   -123.17                                   
REMARK 500    ASP B 219       11.53   -142.82                                   
REMARK 500    PHE B 223      122.83     77.18                                   
REMARK 500    LYS B 251      -89.06   -120.90                                   
REMARK 500    SER B 324     -150.61    -84.46                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH B 565        DISTANCE =  6.41 ANGSTROMS                       
REMARK 525    HOH B 566        DISTANCE =  7.71 ANGSTROMS                       
REMARK 525    HOH B 567        DISTANCE =  8.33 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 95E A 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 402                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 403                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 404                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 95E B 401                 
DBREF  5NR3 A  206   355  UNP    Q9UBC3   DNM3B_HUMAN    218    367             
DBREF  5NR3 B  206   355  UNP    Q9UBC3   DNM3B_HUMAN    218    367             
SEQRES   1 A  150  GLU ALA ASP SER GLY ASP GLY ASP SER SER GLU TYR GLN          
SEQRES   2 A  150  ASP GLY LYS GLU PHE GLY ILE GLY ASP LEU VAL TRP GLY          
SEQRES   3 A  150  LYS ILE LYS GLY PHE SER TRP TRP PRO ALA MET VAL VAL          
SEQRES   4 A  150  SER TRP LYS ALA THR SER LYS ARG GLN ALA MET SER GLY          
SEQRES   5 A  150  MET ARG TRP VAL GLN TRP PHE GLY ASP GLY LYS PHE SER          
SEQRES   6 A  150  GLU VAL SER ALA ASP LYS LEU VAL ALA LEU GLY LEU PHE          
SEQRES   7 A  150  SER GLN HIS PHE ASN LEU ALA THR PHE ASN LYS LEU VAL          
SEQRES   8 A  150  SER TYR ARG LYS ALA MET TYR HIS ALA LEU GLU LYS ALA          
SEQRES   9 A  150  ARG VAL ARG ALA GLY LYS THR PHE PRO SER SER PRO GLY          
SEQRES  10 A  150  ASP SER LEU GLU ASP GLN LEU LYS PRO MET LEU GLU TRP          
SEQRES  11 A  150  ALA HIS GLY GLY PHE LYS PRO THR GLY ILE GLU GLY LEU          
SEQRES  12 A  150  LYS PRO ASN ASN THR GLN PRO                                  
SEQRES   1 B  150  GLU ALA ASP SER GLY ASP GLY ASP SER SER GLU TYR GLN          
SEQRES   2 B  150  ASP GLY LYS GLU PHE GLY ILE GLY ASP LEU VAL TRP GLY          
SEQRES   3 B  150  LYS ILE LYS GLY PHE SER TRP TRP PRO ALA MET VAL VAL          
SEQRES   4 B  150  SER TRP LYS ALA THR SER LYS ARG GLN ALA MET SER GLY          
SEQRES   5 B  150  MET ARG TRP VAL GLN TRP PHE GLY ASP GLY LYS PHE SER          
SEQRES   6 B  150  GLU VAL SER ALA ASP LYS LEU VAL ALA LEU GLY LEU PHE          
SEQRES   7 B  150  SER GLN HIS PHE ASN LEU ALA THR PHE ASN LYS LEU VAL          
SEQRES   8 B  150  SER TYR ARG LYS ALA MET TYR HIS ALA LEU GLU LYS ALA          
SEQRES   9 B  150  ARG VAL ARG ALA GLY LYS THR PHE PRO SER SER PRO GLY          
SEQRES  10 B  150  ASP SER LEU GLU ASP GLN LEU LYS PRO MET LEU GLU TRP          
SEQRES  11 B  150  ALA HIS GLY GLY PHE LYS PRO THR GLY ILE GLU GLY LEU          
SEQRES  12 B  150  LYS PRO ASN ASN THR GLN PRO                                  
HET    95E  A 401      14                                                       
HET    SO4  A 402       5                                                       
HET    SO4  A 403       5                                                       
HET    SO4  A 404       5                                                       
HET    95E  B 401      14                                                       
HETNAM     95E ETHAMBUTOL                                                       
HETNAM     SO4 SULFATE ION                                                      
FORMUL   3  95E    2(C10 H24 N2 O2)                                             
FORMUL   4  SO4    3(O4 S 2-)                                                   
FORMUL   8  HOH   *171(H2 O)                                                    
HELIX    1 AA1 SER A  245  THR A  249  5                                   5    
HELIX    2 AA2 LEU A  282  PHE A  287  1                                   6    
HELIX    3 AA3 ASN A  288  LEU A  295  1                                   8    
HELIX    4 AA4 LEU A  295  GLY A  314  1                                  20    
HELIX    5 AA5 SER A  324  GLY A  338  1                                  15    
HELIX    6 AA6 THR A  343  LYS A  349  5                                   7    
HELIX    7 AA7 SER B  245  THR B  249  5                                   5    
HELIX    8 AA8 LEU B  282  PHE B  287  1                                   6    
HELIX    9 AA9 ASN B  288  LEU B  295  1                                   8    
HELIX   10 AB1 LEU B  295  GLY B  314  1                                  20    
HELIX   11 AB2 SER B  324  GLY B  338  1                                  15    
HELIX   12 AB3 THR B  343  LYS B  349  5                                   7    
SHEET    1 AA1 5 PHE A 269  SER A 273  0                                        
SHEET    2 AA1 5 MET A 258  TRP A 263 -1  N  ARG A 259   O  VAL A 272           
SHEET    3 AA1 5 TRP A 239  VAL A 244 -1  N  MET A 242   O  GLN A 262           
SHEET    4 AA1 5 LEU A 228  GLY A 231 -1  N  GLY A 231   O  TRP A 239           
SHEET    5 AA1 5 LEU A 277  ALA A 279 -1  O  VAL A 278   N  TRP A 230           
SHEET    1 AA2 5 PHE B 269  SER B 273  0                                        
SHEET    2 AA2 5 MET B 258  TRP B 263 -1  N  ARG B 259   O  VAL B 272           
SHEET    3 AA2 5 TRP B 239  VAL B 244 -1  N  MET B 242   O  GLN B 262           
SHEET    4 AA2 5 LEU B 228  GLY B 231 -1  N  VAL B 229   O  ALA B 241           
SHEET    5 AA2 5 LEU B 277  ALA B 279 -1  O  VAL B 278   N  TRP B 230           
CISPEP   1 LYS A  341    PRO A  342          0         8.18                     
CISPEP   2 LYS B  341    PRO B  342          0         8.09                     
SITE     1 AC1  7 ILE A 233  PHE A 236  TRP A 239  TRP A 263                    
SITE     2 AC1  7 ASP A 266  HOH A 502  HOH A 507                               
SITE     1 AC2  4 LYS A 251  ARG A 252  HOH A 510  HIS B 304                    
SITE     1 AC3  2 LYS A 232  GLY A 235                                          
SITE     1 AC4  4 LYS A 251  LYS A 268  PHE A 269  GLN B 253                    
SITE     1 AC5  4 TRP B 239  TRP B 263  ASP B 266  SER B 297                    
CRYST1   74.200   74.200  155.800  90.00  90.00 120.00 P 32 2 1     12          
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      0.013477  0.007781  0.000000        0.00000                         
SCALE2      0.000000  0.015562  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.006418        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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