GenomeNet

Database: PDB
Entry: 2M3M
LinkDB: 2M3M
Original site: 2M3M 
HEADER    ONCOPROTEIN/CELL ADHESION               22-JAN-13   2M3M              
TITLE     SOLUTION STRUCTURE OF A COMPLEX CONSISTING OF HDLG/SAP-97 RESIDUES    
TITLE    2 318-406 AND HPV51 ONCOPROTEIN E6 RESIDUES 141-151                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DISKS LARGE HOMOLOG 1;                                     
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: HDLGPDZ2, UNP RESIDUES 318-406;                            
COMPND   5 SYNONYM: SYNAPSE-ASSOCIATED PROTEIN 97, SAP-97, SAP97, HDLG;         
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: PROTEIN E6;                                                
COMPND   9 CHAIN: B;                                                            
COMPND  10 FRAGMENT: E6CT11, UNP RESIDUES 141-151;                              
COMPND  11 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: DLG1;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET30;                                     
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 ORGANISM_SCIENTIFIC: HUMAN PAPILLOMAVIRUS;                           
SOURCE  12 ORGANISM_TAXID: 10595;                                               
SOURCE  13 STRAIN: TYPE 51;                                                     
SOURCE  14 GENE: E6;                                                            
SOURCE  15 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  16 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  17 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE  18 EXPRESSION_SYSTEM_VECTOR: PTYB21                                     
KEYWDS    PAPILLOMAVIRUS E6 PROTEINS, HPV, ONCOPROTEIN E6, E6, VIRAL, ONCOGENE  
KEYWDS   2 PROTEINS, PDZ DOMAIN, HDLGPDZ2, HDLG, HDLG1, SAP-97, DLG,            
KEYWDS   3 ONCOPROTEIN - CELL ADHESION PROTEIN COMPLEX, ONCOPROTEIN-CELL        
KEYWDS   4 ADHESION COMPLEX                                                     
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    A.MISCHO,O.OHLENSCHLAGER,M.GORLACH                                    
REVDAT   3   25-DEC-19 2M3M    1       REMARK SEQADV SEQRES LINK                
REVDAT   2   16-OCT-13 2M3M    1       TITLE                                    
REVDAT   1   15-MAY-13 2M3M    0                                                
JRNL        AUTH   A.MISCHO,O.OHLENSCHLAGER,P.HORTSCHANSKY,R.RAMACHANDRAN,      
JRNL        AUTH 2 M.GORLACH                                                    
JRNL        TITL   STRUCTURAL INSIGHTS INTO A WILDTYPE DOMAIN OF THE            
JRNL        TITL 2 ONCOPROTEIN E6 AND ITS INTERACTION WITH A PDZ DOMAIN.        
JRNL        REF    PLOS ONE                      V.   8 62584 2013              
JRNL        REFN                   ESSN 1932-6203                               
JRNL        PMID   23638119                                                     
JRNL        DOI    10.1371/JOURNAL.PONE.0062584                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 3, CNS, CYANA 3                                
REMARK   3   AUTHORS     : GUNTERT, MUMENTHALER AND WUTHRICH (CYANA),           
REMARK   3                 BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ (CNS),  
REMARK   3                 GUNTERT, MUMENTHALER AND WUTHRICH (CYANA)            
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2M3M COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-FEB-13.                  
REMARK 100 THE DEPOSITION ID IS D_1000103166.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : 20                                 
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.8 MM [U-100% 13C; U-100% 15N]    
REMARK 210                                   HDLGPDZ2, 2.0 MM E6CT11, 20 MM     
REMARK 210                                   SODIUM PHOSPHATE, 4 MM TCEP,       
REMARK 210                                   0.05 W/V SODIUM AZIDE, 90% H2O/    
REMARK 210                                   10% D2O; 0.8 MM [U-100% 13C; U-    
REMARK 210                                   100% 15N] HDLGPDZ2, 2.0 MM         
REMARK 210                                   E6CT11, 20 MM SODIUM PHOSPHATE,    
REMARK 210                                   4 MM TCEP, 0.05 W/V SODIUM AZIDE,  
REMARK 210                                   100% D2O; 3.12 MM HDLGPDZ2,        
REMARK 210                                   1.25 MM [U-100% 13C; U-100% 15N]   
REMARK 210                                   E6CT11, 20 MM SODIUM PHOSPHATE,    
REMARK 210                                   4 MM TCEP, 0.05 W/V SODIUM AZIDE,  
REMARK 210                                   100% D2O; 3.12 MM HDLGPDZ2,        
REMARK 210                                   1.25 MM [U-100% 13C; U-100% 15N]   
REMARK 210                                   E6CT11, 20 MM SODIUM PHOSPHATE,    
REMARK 210                                   4 MM TCEP, 0.05 W/V SODIUM AZIDE,  
REMARK 210                                   90% H2O/10% D2O                    
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C HSQC     
REMARK 210                                   ALIPHATIC; 2D 1H-13C HSQC          
REMARK 210                                   AROMATIC; 3D HNCACB; 3D 1H-15N     
REMARK 210                                   NOESY; 3D 1H-13C NOESY ALIPHATIC;  
REMARK 210                                   3D 1H-13C NOESY AROMATIC; 3D       
REMARK 210                                   HCCH-COSY; 3D HNCO; 3D HNHA        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 750 MHZ; 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE III                         
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CARA, TOPSPIN                      
REMARK 210   METHOD USED                   : DGSA-DISTANCE GEOMETRY SIMULATED   
REMARK 210                                   ANNEALING, MOLECULAR DYNAMICS      
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK:                                                              
REMARK 210  IN ADDITION TO THE EXPERIMENTS LISTED BELOW, FILTERED/EDITED        
REMARK 210  EXPERIMENTS WERE PERFORMED TO                                       
REMARK 210  DISTINGUISH INTRA- AND INTER-MOLECULAR NOES                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
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 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. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465   MODELS 1-20                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     HIS A   412                                                      
REMARK 465     HIS A   413                                                      
REMARK 465     HIS A   414                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
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   HZ2  LYS A   352     OE2  GLU B   148              1.52            
REMARK 500   OE2  GLU A   319     HZ1  LYS A   401              1.54            
REMARK 500   HZ3  LYS A   327     OE2  GLU A   355              1.55            
REMARK 500   HZ1  LYS A   321     OD2  ASP A   362              1.57            
REMARK 500   OD1  ASP A   345     HG   SER A   347              1.59            
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  1 VAL A 337      104.47    -53.05                                   
REMARK 500  1 PRO A 343      107.73    -52.62                                   
REMARK 500  1 ASN A 346       33.67    -83.05                                   
REMARK 500  1 LYS A 364       29.86     42.58                                   
REMARK 500  1 ASP A 396        0.95     58.46                                   
REMARK 500  1 PRO A 405      110.07    -36.89                                   
REMARK 500  1 SER A 408     -164.49   -161.20                                   
REMARK 500  2 VAL A 337      100.78    -51.00                                   
REMARK 500  2 PRO A 343      108.80    -51.33                                   
REMARK 500  2 GLU A 381       83.34     62.83                                   
REMARK 500  2 ASN A 393       46.39    -78.62                                   
REMARK 500  2 HIS A 410       49.48   -159.92                                   
REMARK 500  3 VAL A 337      103.87    -57.76                                   
REMARK 500  3 PRO A 343      108.11    -52.20                                   
REMARK 500  3 ASN A 346       38.02    -83.32                                   
REMARK 500  3 PHE A 397      117.56   -169.24                                   
REMARK 500  4 GLU A 381       83.55     61.06                                   
REMARK 500  4 ASN A 393       32.55    -74.83                                   
REMARK 500  4 ARG B 142      -37.12     69.62                                   
REMARK 500  5 VAL A 337      100.28    -54.80                                   
REMARK 500  5 ASN A 346       38.11    -82.66                                   
REMARK 500  5 ASN A 376      -26.69     66.43                                   
REMARK 500  5 GLU A 381       73.82     62.85                                   
REMARK 500  5 SER A 408     -168.31   -168.89                                   
REMARK 500  6 VAL A 337      108.51    -55.80                                   
REMARK 500  6 PRO A 343      107.01    -53.53                                   
REMARK 500  6 ASN A 346       38.01    -87.10                                   
REMARK 500  6 LYS A 361      -60.16    -95.76                                   
REMARK 500  6 GLU A 381       83.09     48.52                                   
REMARK 500  6 ASN A 393       49.41    -77.69                                   
REMARK 500  6 THR A 406       84.37    -67.06                                   
REMARK 500  7 VAL A 337      107.49    -53.11                                   
REMARK 500  7 PRO A 343      106.61    -53.60                                   
REMARK 500  7 ASN A 346       38.05    -83.37                                   
REMARK 500  7 GLU A 381       74.91     60.66                                   
REMARK 500  7 SER A 408     -164.72   -167.96                                   
REMARK 500  7 ASN B 147      157.80    173.93                                   
REMARK 500  8 VAL A 337      106.60    -45.75                                   
REMARK 500  8 GLU A 381       83.57     61.14                                   
REMARK 500  8 SER A 408     -169.61   -109.41                                   
REMARK 500  9 VAL A 337      100.49    -56.15                                   
REMARK 500  9 GLU A 381       78.88     60.30                                   
REMARK 500  9 ASN A 393       48.88    -80.83                                   
REMARK 500 10 VAL A 337      108.53    -53.52                                   
REMARK 500 10 PRO A 343      105.16    -52.81                                   
REMARK 500 10 ASN A 346       33.63    -82.40                                   
REMARK 500 10 LYS A 361      -60.49    -94.17                                   
REMARK 500 10 GLU A 381       74.36     63.97                                   
REMARK 500 10 ASN A 393       43.67    -80.27                                   
REMARK 500 10 ASP A 396       14.52     55.77                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     110 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 17942   RELATED DB: BMRB                                 
REMARK 900 PRE-DEPOSITED ASSIGNMENTS                                            
REMARK 900 RELATED ID: 2M3L   RELATED DB: PDB                                   
DBREF  2M3M A  318   406  UNP    Q12959   DLG1_HUMAN     318    406             
DBREF  2M3M B  141   151  UNP    P26554   VE6_HPV51      141    151             
SEQADV 2M3M GLY A  407  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2M3M SER A  408  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2M3M HIS A  409  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2M3M HIS A  410  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2M3M HIS A  411  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2M3M HIS A  412  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2M3M HIS A  413  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2M3M HIS A  414  UNP  Q12959              EXPRESSION TAG                 
SEQRES   1 A   97  MET GLU ILE LYS LEU ILE LYS GLY PRO LYS GLY LEU GLY          
SEQRES   2 A   97  PHE SER ILE ALA GLY GLY VAL GLY ASN GLN HIS ILE PRO          
SEQRES   3 A   97  GLY ASP ASN SER ILE TYR VAL THR LYS ILE ILE GLU GLY          
SEQRES   4 A   97  GLY ALA ALA HIS LYS ASP GLY LYS LEU GLN ILE GLY ASP          
SEQRES   5 A   97  LYS LEU LEU ALA VAL ASN ASN VAL CYS LEU GLU GLU VAL          
SEQRES   6 A   97  THR HIS GLU GLU ALA VAL THR ALA LEU LYS ASN THR SER          
SEQRES   7 A   97  ASP PHE VAL TYR LEU LYS VAL ALA LYS PRO THR GLY SER          
SEQRES   8 A   97  HIS HIS HIS HIS HIS HIS                                      
SEQRES   1 B   11  PCA ARG THR ARG GLN ARG ASN GLU THR GLN VAL                  
MODRES 2M3M PCA B  141  GLN  PYROGLUTAMIC ACID                                  
HET    PCA  B 141      15                                                       
HETNAM     PCA PYROGLUTAMIC ACID                                                
FORMUL   2  PCA    C5 H7 N O3                                                   
HELIX    1   1 GLY A  357  ASP A  362  1                                   6    
HELIX    2   2 THR A  383  ASN A  393  1                                  11    
SHEET    1   A 4 GLU A 319  LEU A 322  0                                        
SHEET    2   A 4 VAL A 398  ALA A 403 -1  O  LEU A 400   N  ILE A 320           
SHEET    3   A 4 LYS A 370  VAL A 374 -1  N  ALA A 373   O  LYS A 401           
SHEET    4   A 4 VAL A 377  CYS A 378 -1  O  VAL A 377   N  VAL A 374           
SHEET    1   B 6 GLU A 319  LEU A 322  0                                        
SHEET    2   B 6 VAL A 398  ALA A 403 -1  O  LEU A 400   N  ILE A 320           
SHEET    3   B 6 LYS A 370  VAL A 374 -1  N  ALA A 373   O  LYS A 401           
SHEET    4   B 6 ILE A 348  ILE A 353 -1  N  ILE A 348   O  LEU A 371           
SHEET    5   B 6 PHE A 331  GLY A 335 -1  N  SER A 332   O  LYS A 352           
SHEET    6   B 6 THR B 149  GLN B 150 -1  O  THR B 149   N  ILE A 333           
LINK         C   PCA B 141                 N   ARG B 142     1555   1555  1.31  
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system