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Database: PDB
Entry: 4ONM
LinkDB: 4ONM
Original site: 4ONM 
HEADER    LIGASE                                  28-JAN-14   4ONM              
TITLE     CRYSTAL STRUCTURE OF HUMAN MMS2/UBC13 - NSC697923                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 VARIANT 2;                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: DDVIT 1, ENTEROCYTE DIFFERENTIATION-ASSOCIATED FACTOR 1,    
COMPND   5 EDAF-1, ENTEROCYTE DIFFERENTIATION-PROMOTING FACTOR 1, EDPF-1, MMS2  
COMPND   6 HOMOLOG, VITAMIN D3-INDUCIBLE PROTEIN;                               
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 N;                         
COMPND  10 CHAIN: B;                                                            
COMPND  11 SYNONYM: BENDLESS-LIKE UBIQUITIN-CONJUGATING ENZYME, UBC13, UBCH13,  
COMPND  12 UBIQUITIN CARRIER PROTEIN N, UBIQUITIN-PROTEIN LIGASE N;             
COMPND  13 EC: 6.3.2.19;                                                        
COMPND  14 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: MMS2, UBE2V2, UEV2;                                            
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PGEX6P1;                                  
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  13 ORGANISM_COMMON: HUMAN;                                              
SOURCE  14 ORGANISM_TAXID: 9606;                                                
SOURCE  15 GENE: BLU, UBE2N;                                                    
SOURCE  16 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  17 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  18 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  19 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  20 EXPRESSION_SYSTEM_PLASMID: PGEX6P1                                   
KEYWDS    E2 UBIQUITIN CONJUGATING ENZYME, E1, E3, UBIQUITIN, COVALENT ADDUCT,  
KEYWDS   2 LIGASE                                                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    C.D.HODGE,R.A.EDWARDS,J.N.M.GLOVER                                    
REVDAT   3   22-NOV-17 4ONM    1       REMARK                                   
REVDAT   2   05-AUG-15 4ONM    1       JRNL                                     
REVDAT   1   06-MAY-15 4ONM    0                                                
JRNL        AUTH   C.D.HODGE,R.A.EDWARDS,C.J.MARKIN,D.MCDONALD,M.PULVINO,       
JRNL        AUTH 2 M.S.HUEN,J.ZHAO,L.SPYRACOPOULOS,M.J.HENDZEL,J.N.GLOVER       
JRNL        TITL   COVALENT INHIBITION OF UBC13 AFFECTS UBIQUITIN SIGNALING AND 
JRNL        TITL 2 REVEALS ACTIVE SITE ELEMENTS IMPORTANT FOR TARGETING.        
JRNL        REF    ACS CHEM.BIOL.                V.  10  1718 2015              
JRNL        REFN                   ISSN 1554-8929                               
JRNL        PMID   25909880                                                     
JRNL        DOI    10.1021/ACSCHEMBIO.5B00222                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.35 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.8.3_1479                                    
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) : 1.35                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 24.27                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 67463                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.161                           
REMARK   3   R VALUE            (WORKING SET) : 0.159                           
REMARK   3   FREE R VALUE                     : 0.192                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.310                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 3585                            
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 24.2710 -  3.9928    1.00     2681   133  0.1682 0.1513        
REMARK   3     2  3.9928 -  3.1715    1.00     2560   130  0.1671 0.2119        
REMARK   3     3  3.1715 -  2.7712    1.00     2525   137  0.1827 0.2225        
REMARK   3     4  2.7712 -  2.5181    1.00     2500   154  0.1803 0.2174        
REMARK   3     5  2.5181 -  2.3378    1.00     2478   142  0.1643 0.2093        
REMARK   3     6  2.3378 -  2.2001    1.00     2475   158  0.1530 0.1828        
REMARK   3     7  2.2001 -  2.0899    1.00     2491   125  0.1515 0.2004        
REMARK   3     8  2.0899 -  1.9990    1.00     2475   133  0.1372 0.1687        
REMARK   3     9  1.9990 -  1.9221    1.00     2463   137  0.1403 0.1900        
REMARK   3    10  1.9221 -  1.8558    1.00     2451   124  0.1307 0.1765        
REMARK   3    11  1.8558 -  1.7978    1.00     2472   151  0.1313 0.1881        
REMARK   3    12  1.7978 -  1.7464    1.00     2463   133  0.1260 0.1973        
REMARK   3    13  1.7464 -  1.7004    1.00     2412   150  0.1241 0.1485        
REMARK   3    14  1.7004 -  1.6590    1.00     2442   151  0.1233 0.1758        
REMARK   3    15  1.6590 -  1.6213    0.99     2441   143  0.1218 0.1718        
REMARK   3    16  1.6213 -  1.5868    0.99     2425   139  0.1261 0.1749        
REMARK   3    17  1.5868 -  1.5550    0.99     2445   126  0.1318 0.2060        
REMARK   3    18  1.5550 -  1.5257    0.99     2413   144  0.1361 0.1788        
REMARK   3    19  1.5257 -  1.4984    0.99     2436   114  0.1452 0.1843        
REMARK   3    20  1.4984 -  1.4731    0.99     2398   151  0.1496 0.1943        
REMARK   3    21  1.4731 -  1.4493    0.99     2445   120  0.1524 0.1945        
REMARK   3    22  1.4493 -  1.4270    0.99     2418   149  0.1655 0.2297        
REMARK   3    23  1.4270 -  1.4060    0.99     2406   128  0.1734 0.2116        
REMARK   3    24  1.4060 -  1.3862    0.99     2402   135  0.1945 0.2514        
REMARK   3    25  1.3862 -  1.3675    0.99     2441   134  0.2164 0.2645        
REMARK   3    26  1.3675 -  1.3500    0.97     2320   144  0.2441 0.2864        
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)     : 0.140            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 17.300           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 16.79                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 25.06                          
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      :  0.013           2475                                  
REMARK   3   ANGLE     :  1.440           3377                                  
REMARK   3   CHIRALITY :  0.095            359                                  
REMARK   3   PLANARITY :  0.008            450                                  
REMARK   3   DIHEDRAL  : 13.111            973                                  
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 4ONM COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-FEB-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000084719.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 21-AUG-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 105                                
REMARK 200  PH                             : 7.4                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : CLSI                               
REMARK 200  BEAMLINE                       : 08B1-1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.03321                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : RAYONIX MX300HE                    
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 67525                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.350                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY                : 4.700                              
REMARK 200  R MERGE                    (I) : 0.03900                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 16.5000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.35                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.37                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.00                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.67900                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
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: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 43.27                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.17                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM SODIUM CITRATE, 15% PEG 8000,     
REMARK 280  PH 7.4, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K             
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
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       22.26900            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       45.66250            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       37.42750            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       45.66250            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       22.26900            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       37.42750            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1720 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 15180 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -10.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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     GLY A    -7                                                      
REMARK 465     PRO A    -6                                                      
REMARK 465     LEU A    -5                                                      
REMARK 465     GLY A    -4                                                      
REMARK 465     SER A    -3                                                      
REMARK 465     PRO A    -2                                                      
REMARK 465     GLU A    -1                                                      
REMARK 465     PHE A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     VAL A     3                                                      
REMARK 465     SER A     4                                                      
REMARK 465     THR A     5                                                      
REMARK 465     GLY B    -7                                                      
REMARK 465     PRO B    -6                                                      
REMARK 465     LEU B    -5                                                      
REMARK 465     GLY B    -4                                                      
REMARK 465     SER B    -3                                                      
REMARK 465     PRO B    -2                                                      
REMARK 465     GLU B    -1                                                      
REMARK 465     PHE B     0                                                      
REMARK 465     MET B     1                                                      
REMARK 465     ASN B   151                                                      
REMARK 465     ILE B   152                                                      
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 B  92     -108.53   -132.51                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 600                                                                      
REMARK 600 HETEROGEN                                                            
REMARK 600                                                                      
REMARK 600 THE COMPOUND N2F LOSES THE 4-METHYLBENZENE-SULFINIC ACID GROUP ON    
REMARK 600 INERACTING WITH UBC13 AND THE REMAINING PART OF N2F FORMS A          
REMARK 600 COVALENT BOND WITH THE SG ATOM OF CYS B87                            
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE N2F B 201                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4ONL   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4ONN   RELATED DB: PDB                                   
DBREF  4ONM A    1   145  UNP    Q15819   UB2V2_HUMAN      1    145             
DBREF  4ONM B    1   152  UNP    P61088   UBE2N_HUMAN      1    152             
SEQADV 4ONM GLY A   -7  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4ONM PRO A   -6  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4ONM LEU A   -5  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4ONM GLY A   -4  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4ONM SER A   -3  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4ONM PRO A   -2  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4ONM GLU A   -1  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4ONM PHE A    0  UNP  Q15819              EXPRESSION TAG                 
SEQADV 4ONM GLY B   -7  UNP  P61088              EXPRESSION TAG                 
SEQADV 4ONM PRO B   -6  UNP  P61088              EXPRESSION TAG                 
SEQADV 4ONM LEU B   -5  UNP  P61088              EXPRESSION TAG                 
SEQADV 4ONM GLY B   -4  UNP  P61088              EXPRESSION TAG                 
SEQADV 4ONM SER B   -3  UNP  P61088              EXPRESSION TAG                 
SEQADV 4ONM PRO B   -2  UNP  P61088              EXPRESSION TAG                 
SEQADV 4ONM GLU B   -1  UNP  P61088              EXPRESSION TAG                 
SEQADV 4ONM PHE B    0  UNP  P61088              EXPRESSION TAG                 
SEQRES   1 A  153  GLY PRO LEU GLY SER PRO GLU PHE MET ALA VAL SER THR          
SEQRES   2 A  153  GLY VAL LYS VAL PRO ARG ASN PHE ARG LEU LEU GLU GLU          
SEQRES   3 A  153  LEU GLU GLU GLY GLN LYS GLY VAL GLY ASP GLY THR VAL          
SEQRES   4 A  153  SER TRP GLY LEU GLU ASP ASP GLU ASP MET THR LEU THR          
SEQRES   5 A  153  ARG TRP THR GLY MET ILE ILE GLY PRO PRO ARG THR ASN          
SEQRES   6 A  153  TYR GLU ASN ARG ILE TYR SER LEU LYS VAL GLU CYS GLY          
SEQRES   7 A  153  PRO LYS TYR PRO GLU ALA PRO PRO SER VAL ARG PHE VAL          
SEQRES   8 A  153  THR LYS ILE ASN MET ASN GLY ILE ASN ASN SER SER GLY          
SEQRES   9 A  153  MET VAL ASP ALA ARG SER ILE PRO VAL LEU ALA LYS TRP          
SEQRES  10 A  153  GLN ASN SER TYR SER ILE LYS VAL VAL LEU GLN GLU LEU          
SEQRES  11 A  153  ARG ARG LEU MET MET SER LYS GLU ASN MET LYS LEU PRO          
SEQRES  12 A  153  GLN PRO PRO GLU GLY GLN THR TYR ASN ASN                      
SEQRES   1 B  160  GLY PRO LEU GLY SER PRO GLU PHE MET ALA GLY LEU PRO          
SEQRES   2 B  160  ARG ARG ILE ILE LYS GLU THR GLN ARG LEU LEU ALA GLU          
SEQRES   3 B  160  PRO VAL PRO GLY ILE LYS ALA GLU PRO ASP GLU SER ASN          
SEQRES   4 B  160  ALA ARG TYR PHE HIS VAL VAL ILE ALA GLY PRO GLN ASP          
SEQRES   5 B  160  SER PRO PHE GLU GLY GLY THR PHE LYS LEU GLU LEU PHE          
SEQRES   6 B  160  LEU PRO GLU GLU TYR PRO MET ALA ALA PRO LYS VAL ARG          
SEQRES   7 B  160  PHE MET THR LYS ILE TYR HIS PRO ASN VAL ASP LYS LEU          
SEQRES   8 B  160  GLY ARG ILE CYS LEU ASP ILE LEU LYS ASP LYS TRP SER          
SEQRES   9 B  160  PRO ALA LEU GLN ILE ARG THR VAL LEU LEU SER ILE GLN          
SEQRES  10 B  160  ALA LEU LEU SER ALA PRO ASN PRO ASP ASP PRO LEU ALA          
SEQRES  11 B  160  ASN ASP VAL ALA GLU GLN TRP LYS THR ASN GLU ALA GLN          
SEQRES  12 B  160  ALA ILE GLU THR ALA ARG ALA TRP THR ARG LEU TYR ALA          
SEQRES  13 B  160  MET ASN ASN ILE                                              
HET    GOL  A 201       6                                                       
HET    N2F  B 201      10                                                       
HETNAM     GOL GLYCEROL                                                         
HETNAM     N2F 2-[(4-METHYLPHENYL)SULFONYL]-5-NITROFURAN                        
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
HETSYN     N2F NSC697923                                                        
FORMUL   3  GOL    C3 H8 O3                                                     
FORMUL   4  N2F    C11 H9 N O5 S                                                
FORMUL   5  HOH   *212(H2 O)                                                    
HELIX    1   1 PRO A   10  GLY A   25  1                                  16    
HELIX    2   2 ASP A   99  SER A  102  5                                   4    
HELIX    3   3 ILE A  103  LYS A  108  1                                   6    
HELIX    4   4 SER A  114  MET A  127  1                                  14    
HELIX    5   5 PRO B    5  GLU B   18  1                                  14    
HELIX    6   6 LEU B   88  LYS B   92  5                                   5    
HELIX    7   7 GLN B  100  ALA B  114  1                                  15    
HELIX    8   8 VAL B  125  ASN B  132  1                                   8    
HELIX    9   9 ASN B  132  ALA B  148  1                                  17    
SHEET    1   A 4 VAL A  31  LEU A  35  0                                        
SHEET    2   A 4 ARG A  45  ILE A  51 -1  O  THR A  47   N  GLY A  34           
SHEET    3   A 4 ILE A  62  GLU A  68 -1  O  TYR A  63   N  ILE A  50           
SHEET    4   A 4 SER A  79  PHE A  82 -1  O  SER A  79   N  GLU A  68           
SHEET    1   B 4 ILE B  23  PRO B  27  0                                        
SHEET    2   B 4 TYR B  34  ALA B  40 -1  O  HIS B  36   N  GLU B  26           
SHEET    3   B 4 THR B  51  PHE B  57 -1  O  LEU B  56   N  PHE B  35           
SHEET    4   B 4 LYS B  68  PHE B  71 -1  O  ARG B  70   N  GLU B  55           
LINK         SG  CYS B  87                 C5  N2F B 201     1555   1555  1.75  
CISPEP   1 TYR A   73    PRO A   74          0         1.02                     
CISPEP   2 TYR B   62    PRO B   63          0         6.67                     
SITE     1 AC1  8 ASN A  60  ILE A  62  GLY A  90  ILE A  91                    
SITE     2 AC1  8 ASN A  92  ASN A  93  HOH A 379  HOH A 399                    
SITE     1 AC2 11 PRO B  78  ASN B  79  VAL B  80  ASP B  81                    
SITE     2 AC2 11 ARG B  85  ILE B  86  CYS B  87  LEU B 121                    
SITE     3 AC2 11 ALA B 122  ASN B 123  HOH B 305                               
CRYST1   44.538   74.855   91.325  90.00  90.00  90.00 P 21 21 21    4          
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      0.022453  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.013359  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010950        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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