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Database: PDB
Entry: 3W9Y
LinkDB: 3W9Y
Original site: 3W9Y 
HEADER    PEPTIDE BINDING PROTEIN                 18-APR-13   3W9Y              
TITLE     CRYSTAL STRUCTURE OF THE HUMAN DLG1 GUANYLATE KINASE DOMAIN           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DISKS LARGE HOMOLOG 1;                                     
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: GUANYLATE KINASE DOMAIN, UNP RESIDUES 734-926;             
COMPND   5 SYNONYM: SYNAPSE-ASSOCIATED PROTEIN 97, SAP-97, SAP97, HDLG;         
COMPND   6 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: CELL-FREE SYNTHESIS;                              
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PCR2.1-TOPO                               
KEYWDS    GUANYLATE KINASE, MOLECULAR SCAFFOLD, PEPTIDE BINDING, CELL MEMBRANE, 
KEYWDS   2 PEPTIDE BINDING PROTEIN                                              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.MORI,Y.TEZUKA,A.ARAKAWA,N.HANDA,M.SHIROUZU,T.AKIYAMA,S.YOKOYAMA     
REVDAT   1   26-JUN-13 3W9Y    0                                                
JRNL        AUTH   S.MORI,Y.TEZUKA,A.ARAKAWA,N.HANDA,M.SHIROUZU,T.AKIYAMA,      
JRNL        AUTH 2 S.YOKOYAMA                                                   
JRNL        TITL   CRYSTAL STRUCTURE OF THE GUANYLATE KINASE DOMAIN FROM DISCS  
JRNL        TITL 2 LARGE HOMOLOG 1 (DLG1/SAP97)                                 
JRNL        REF    BIOCHEM.BIOPHYS.RES.COMMUN.   V. 435   334 2013              
JRNL        REFN                   ISSN 0006-291X                               
JRNL        PMID   23624197                                                     
JRNL        DOI    10.1016/J.BBRC.2013.04.056                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.8.1_1168)                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 48.00                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 2.100                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 12188                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.215                           
REMARK   3   R VALUE            (WORKING SET) : 0.209                           
REMARK   3   FREE R VALUE                     : 0.265                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.400                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 1262                            
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 48.1000 -  4.7400    1.00     1995   196  0.2090 0.2680        
REMARK   3     2  4.7400 -  3.7700    1.00     1952   239  0.1620 0.2180        
REMARK   3     3  3.7700 -  3.2900    1.00     1976   214  0.1740 0.2330        
REMARK   3     4  3.2900 -  2.9900    0.99     1947   224  0.1960 0.2430        
REMARK   3     5  2.9900 -  2.7800    0.99     1957   218  0.2210 0.2680        
REMARK   3     6  2.7800 -  2.6100    0.98     1933   226  0.2300 0.3150        
REMARK   3     7  2.6100 -  2.4800    0.98     1919   227  0.2560 0.3380        
REMARK   3     8  2.4800 -  2.3700    0.98     1973   170  0.2720 0.3110        
REMARK   3     9  2.3700 -  2.2800    0.96     1910   200  0.2990 0.3480        
REMARK   3    10  2.2800 -  2.2000    0.95     1881   206  0.3210 0.3860        
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)     : 0.360            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.420           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.008           1464                                  
REMARK   3   ANGLE     :  1.001           1972                                  
REMARK   3   CHIRALITY :  0.067            211                                  
REMARK   3   PLANARITY :  0.004            257                                  
REMARK   3   DIHEDRAL  : 15.722            562                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 11                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: chain A and (resseq 734:753)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -19.9080  30.4772   2.3413              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3721 T22:   0.3974                                     
REMARK   3      T33:   0.3533 T12:  -0.1135                                     
REMARK   3      T13:  -0.0187 T23:  -0.0932                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.1529 L22:   4.7616                                     
REMARK   3      L33:   2.5327 L12:   2.0900                                     
REMARK   3      L13:  -2.9263 L23:   1.7545                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2448 S12:   0.4615 S13:   0.5257                       
REMARK   3      S21:  -0.5017 S22:   0.2858 S23:   0.1326                       
REMARK   3      S31:  -0.2767 S32:   0.5691 S33:  -0.5541                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: chain A and (resseq 754:773)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -19.3043  19.4787  -4.1745              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2850 T22:   0.5306                                     
REMARK   3      T33:   0.3172 T12:  -0.0747                                     
REMARK   3      T13:  -0.0115 T23:  -0.0756                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6511 L22:   2.4141                                     
REMARK   3      L33:   1.6166 L12:   2.0331                                     
REMARK   3      L13:   1.4171 L23:   1.0771                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1855 S12:   0.2520 S13:   0.1732                       
REMARK   3      S21:   0.0232 S22:  -0.0169 S23:   0.0306                       
REMARK   3      S31:   0.0130 S32:   0.7378 S33:  -0.0448                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: chain A and (resseq 774:793)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -28.1263   9.3560  -6.4187              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4624 T22:   0.3931                                     
REMARK   3      T33:   0.3362 T12:   0.0698                                     
REMARK   3      T13:  -0.1065 T23:  -0.0582                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.9757 L22:   3.8761                                     
REMARK   3      L33:   6.7768 L12:  -0.5901                                     
REMARK   3      L13:  -1.9999 L23:  -0.7609                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0626 S12:  -0.0891 S13:  -0.1751                       
REMARK   3      S21:  -0.0492 S22:   0.2653 S23:  -0.0048                       
REMARK   3      S31:   1.5034 S32:   0.2189 S33:  -0.3391                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: chain A and (resseq 794:813)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -34.8558  15.0812  -0.5298              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2444 T22:   0.4035                                     
REMARK   3      T33:   0.2989 T12:  -0.0760                                     
REMARK   3      T13:  -0.0177 T23:   0.0353                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8857 L22:   1.8749                                     
REMARK   3      L33:   8.3773 L12:  -0.8962                                     
REMARK   3      L13:   0.4292 L23:  -1.2447                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0381 S12:  -0.2220 S13:  -0.1754                       
REMARK   3      S21:  -0.0339 S22:   0.2610 S23:   0.2083                       
REMARK   3      S31:   1.1117 S32:  -0.6197 S33:  -0.1725                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: chain A and (resseq 814:833)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -20.2205  19.0985   5.4154              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2089 T22:   0.4110                                     
REMARK   3      T33:   0.2915 T12:   0.0425                                     
REMARK   3      T13:   0.0011 T23:  -0.0461                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.7476 L22:   5.7009                                     
REMARK   3      L33:   4.5087 L12:   3.5889                                     
REMARK   3      L13:   0.5337 L23:   1.2052                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3011 S12:  -0.5140 S13:  -0.3921                       
REMARK   3      S21:  -0.1395 S22:   0.2684 S23:  -0.8634                       
REMARK   3      S31:   0.4364 S32:   0.6232 S33:   0.0925                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: chain A and (resseq 834:853)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -27.1119  27.6320  10.7337              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3012 T22:   0.5586                                     
REMARK   3      T33:   0.3851 T12:   0.0339                                     
REMARK   3      T13:   0.0358 T23:  -0.0488                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.8196 L22:   4.2552                                     
REMARK   3      L33:   2.0861 L12:   2.4544                                     
REMARK   3      L13:  -0.2650 L23:  -0.1115                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0232 S12:  -0.3457 S13:   0.8000                       
REMARK   3      S21:   0.1695 S22:   0.2097 S23:   0.6216                       
REMARK   3      S31:  -0.0866 S32:  -0.0950 S33:  -0.1822                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: chain A and (resseq 854:881)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -32.7060  44.2730  -0.6371              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6578 T22:   0.6795                                     
REMARK   3      T33:   1.5135 T12:   0.1536                                     
REMARK   3      T13:   0.0141 T23:   0.3249                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6758 L22:   3.9138                                     
REMARK   3      L33:   2.0926 L12:   3.7517                                     
REMARK   3      L13:   1.8927 L23:   2.2888                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1359 S12:   0.7058 S13:   2.2727                       
REMARK   3      S21:  -1.5067 S22:   0.0967 S23:   2.4438                       
REMARK   3      S31:  -0.6674 S32:  -1.2148 S33:   0.0695                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: chain A and (resseq 882:891)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -32.3029  35.9866  10.5080              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4531 T22:   0.9220                                     
REMARK   3      T33:   1.0509 T12:   0.0875                                     
REMARK   3      T13:   0.0646 T23:  -0.3687                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4348 L22:   1.3118                                     
REMARK   3      L33:   6.0200 L12:   0.2309                                     
REMARK   3      L13:   3.0849 L23:  -2.0670                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1655 S12:  -1.2465 S13:   0.7310                       
REMARK   3      S21:   0.5201 S22:   0.0381 S23:   1.6228                       
REMARK   3      S31:  -1.0276 S32:  -2.4372 S33:   0.0155                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: chain A and (resseq 892:901)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -18.8108  44.0993   2.3245              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8078 T22:   0.6485                                     
REMARK   3      T33:   1.0059 T12:  -0.1724                                     
REMARK   3      T13:   0.1847 T23:  -0.0583                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.6708 L22:   3.4150                                     
REMARK   3      L33:   9.0731 L12:  -0.4104                                     
REMARK   3      L13:  -5.5256 L23:   0.4728                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.5607 S12:   0.0280 S13:   2.3487                       
REMARK   3      S21:  -0.2783 S22:  -0.1996 S23:   0.3486                       
REMARK   3      S31:  -2.2900 S32:   0.6864 S33:  -1.1568                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: chain A and (resseq 902:911)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -13.6585  37.4187   6.0898              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3426 T22:   0.5863                                     
REMARK   3      T33:   0.5753 T12:  -0.1575                                     
REMARK   3      T13:  -0.0193 T23:  -0.0845                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4508 L22:   6.0881                                     
REMARK   3      L33:   4.8738 L12:  -2.9585                                     
REMARK   3      L13:   0.7182 L23:  -2.3586                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5355 S12:  -0.0798 S13:   1.5506                       
REMARK   3      S21:  -0.1689 S22:  -0.0960 S23:  -0.7408                       
REMARK   3      S31:  -0.8713 S32:   0.9212 S33:   0.3860                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: chain A and (resseq 912:926)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.1120  32.3805  10.0075              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2882 T22:   0.3875                                     
REMARK   3      T33:   0.2873 T12:   0.0488                                     
REMARK   3      T13:   0.0064 T23:  -0.0886                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8298 L22:   5.5801                                     
REMARK   3      L33:   7.2105 L12:   3.9819                                     
REMARK   3      L13:  -3.3542 L23:  -1.4999                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4233 S12:   0.0779 S13:  -0.6021                       
REMARK   3      S21:  -0.1129 S22:  -0.5883 S23:  -0.3854                       
REMARK   3      S31:   0.0927 S32:  -1.1917 S33:   0.1531                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURE HAS ALSO BEEN REFINED       
REMARK   3  USING THE PROGRAM CNS 1.3.                                          
REMARK   4                                                                      
REMARK   4 3W9Y COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 07-MAY-13.                  
REMARK 100 THE RCSB ID CODE IS RCSB096071.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 22-APR-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SPRING-8                           
REMARK 200  BEAMLINE                       : BL26B2                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.979077                           
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 225 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 12192                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.200                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.2                               
REMARK 200  DATA REDUNDANCY                : 12.000                             
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.07700                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 25.3000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.28                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 97.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.40900                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.900                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MR-SAD                       
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 1JXO                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 48.56                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.39                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M SODIUM THIOCYANATE, 22% PEG 3350,   
REMARK 280  VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2                         
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   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+1/6                                            
REMARK 290       6555   X-Y,X,Z+5/6                                             
REMARK 290       7555   Y,X,-Z+2/3                                              
REMARK 290       8555   X-Y,-Y,-Z                                               
REMARK 290       9555   -X,-X+Y,-Z+1/3                                          
REMARK 290      10555   -Y,-X,-Z+1/6                                            
REMARK 290      11555   -X+Y,Y,-Z+1/2                                           
REMARK 290      12555   X,X-Y,-Z+5/6                                            
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      120.37533            
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       60.18767            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       90.28150            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       30.09383            
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      150.46917            
REMARK 290   SMTRY1   7 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000      120.37533            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   9 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   9  0.000000  0.000000 -1.000000       60.18767            
REMARK 290   SMTRY1  10  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  10 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  10  0.000000  0.000000 -1.000000       30.09383            
REMARK 290   SMTRY1  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  11  0.000000  0.000000 -1.000000       90.28150            
REMARK 290   SMTRY1  12  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  12  0.000000  0.000000 -1.000000      150.46917            
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: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
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 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   727                                                      
REMARK 465     SER A   728                                                      
REMARK 465     SER A   729                                                      
REMARK 465     GLY A   730                                                      
REMARK 465     SER A   731                                                      
REMARK 465     SER A   732                                                      
REMARK 465     GLY A   733                                                      
REMARK 465     GLU A   858                                                      
REMARK 465     ASN A   859                                                      
REMARK 465     ILE A   860                                                      
REMARK 465     MSE A   861                                                      
REMARK 465     GLU A   862                                                      
REMARK 465     MSE A   863                                                      
REMARK 465     ASN A   864                                                      
REMARK 465     LYS A   865                                                      
REMARK 465     ARG A   866                                                      
REMARK 465     LEU A   867                                                      
REMARK 465     THR A   868                                                      
REMARK 465     GLU A   869                                                      
REMARK 465     GLU A   870                                                      
REMARK 465     GLN A   871                                                      
REMARK 465     ALA A   872                                                      
REMARK 465     ARG A   873                                                      
REMARK 465     LYS A   874                                                      
REMARK 465     THR A   875                                                      
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    MSE A 745       -0.12     82.82                                   
REMARK 500    ALA A 843        4.58    -69.96                                   
REMARK 500    LEU A 845       75.61   -117.18                                   
REMARK 500    LYS A 855       34.51    -99.70                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THIS SEQUENCE CORRESPONDS TO THE ISOFORM 2  FOUND IN UNP Q12959.     
DBREF  3W9Y A  734   926  UNP    Q12959-2 DLG1_HUMAN     712    904             
SEQADV 3W9Y GLY A  727  UNP  Q12959-2            EXPRESSION TAG                 
SEQADV 3W9Y SER A  728  UNP  Q12959-2            EXPRESSION TAG                 
SEQADV 3W9Y SER A  729  UNP  Q12959-2            EXPRESSION TAG                 
SEQADV 3W9Y GLY A  730  UNP  Q12959-2            EXPRESSION TAG                 
SEQADV 3W9Y SER A  731  UNP  Q12959-2            EXPRESSION TAG                 
SEQADV 3W9Y SER A  732  UNP  Q12959-2            EXPRESSION TAG                 
SEQADV 3W9Y GLY A  733  UNP  Q12959-2            EXPRESSION TAG                 
SEQRES   1 A  200  GLY SER SER GLY SER SER GLY ASN TYR THR ARG PRO VAL          
SEQRES   2 A  200  ILE ILE LEU GLY PRO MSE LYS ASP ARG ILE ASN ASP ASP          
SEQRES   3 A  200  LEU ILE SER GLU PHE PRO ASP LYS PHE GLY SER CYS VAL          
SEQRES   4 A  200  PRO HIS THR THR ARG PRO LYS ARG ASP TYR GLU VAL ASP          
SEQRES   5 A  200  GLY ARG ASP TYR HIS PHE VAL THR SER ARG GLU GLN MSE          
SEQRES   6 A  200  GLU LYS ASP ILE GLN GLU HIS LYS PHE ILE GLU ALA GLY          
SEQRES   7 A  200  GLN TYR ASN ASN HIS LEU TYR GLY THR SER VAL GLN SER          
SEQRES   8 A  200  VAL ARG GLU VAL ALA GLU LYS GLY LYS HIS CYS ILE LEU          
SEQRES   9 A  200  ASP VAL SER GLY ASN ALA ILE LYS ARG LEU GLN ILE ALA          
SEQRES  10 A  200  GLN LEU TYR PRO ILE SER ILE PHE ILE LYS PRO LYS SER          
SEQRES  11 A  200  MSE GLU ASN ILE MSE GLU MSE ASN LYS ARG LEU THR GLU          
SEQRES  12 A  200  GLU GLN ALA ARG LYS THR PHE GLU ARG ALA MSE LYS LEU          
SEQRES  13 A  200  GLU GLN GLU PHE THR GLU HIS PHE THR ALA ILE VAL GLN          
SEQRES  14 A  200  GLY ASP THR LEU GLU ASP ILE TYR ASN GLN VAL LYS GLN          
SEQRES  15 A  200  ILE ILE GLU GLU GLN SER GLY SER TYR ILE TRP VAL PRO          
SEQRES  16 A  200  ALA LYS GLU LYS LEU                                          
MODRES 3W9Y MSE A  745  MET  SELENOMETHIONINE                                   
MODRES 3W9Y MSE A  791  MET  SELENOMETHIONINE                                   
MODRES 3W9Y MSE A  857  MET  SELENOMETHIONINE                                   
MODRES 3W9Y MSE A  880  MET  SELENOMETHIONINE                                   
HET    MSE  A 745       8                                                       
HET    MSE  A 791       8                                                       
HET    MSE  A 857       8                                                       
HET    MSE  A 880       8                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
FORMUL   1  MSE    4(C5 H11 N O2 SE)                                            
FORMUL   2  HOH   *61(H2 O)                                                     
HELIX    1   1 MSE A  745  PHE A  757  1                                  13    
HELIX    2   2 SER A  787  GLU A  797  1                                  11    
HELIX    3   3 VAL A  815  GLU A  823  1                                   9    
HELIX    4   4 GLY A  834  ALA A  843  1                                  10    
HELIX    5   5 GLU A  877  THR A  887  1                                  11    
HELIX    6   6 GLU A  888  PHE A  890  5                                   3    
HELIX    7   7 THR A  898  GLY A  915  1                                  18    
HELIX    8   8 PRO A  921  LYS A  925  5                                   5    
SHEET    1   A 5 PHE A 761  GLY A 762  0                                        
SHEET    2   A 5 HIS A 827  LEU A 830  1  O  ILE A 829   N  GLY A 762           
SHEET    3   A 5 VAL A 739  LEU A 742  1  N  VAL A 739   O  CYS A 828           
SHEET    4   A 5 ILE A 848  ILE A 852  1  O  ILE A 850   N  LEU A 742           
SHEET    5   A 5 ALA A 892  VAL A 894  1  O  ALA A 892   N  PHE A 851           
SHEET    1   B 4 HIS A 783  PHE A 784  0                                        
SHEET    2   B 4 HIS A 767  THR A 768  1  N  THR A 768   O  HIS A 783           
SHEET    3   B 4 HIS A 809  SER A 814 -1  O  GLY A 812   N  HIS A 767           
SHEET    4   B 4 PHE A 800  TYR A 806 -1  N  GLU A 802   O  THR A 813           
LINK         C   PRO A 744                 N   MSE A 745     1555   1555  1.34  
LINK         C   MSE A 745                 N   LYS A 746     1555   1555  1.33  
LINK         C   GLN A 790                 N   MSE A 791     1555   1555  1.33  
LINK         C   MSE A 791                 N   GLU A 792     1555   1555  1.33  
LINK         C   SER A 856                 N   MSE A 857     1555   1555  1.33  
LINK         C   ALA A 879                 N   MSE A 880     1555   1555  1.33  
LINK         C   MSE A 880                 N   LYS A 881     1555   1555  1.33  
CRYST1   65.535   65.535  180.563  90.00  90.00 120.00 P 65 2 2     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      0.015259  0.008810  0.000000        0.00000                         
SCALE2      0.000000  0.017620  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.005538        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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