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Database: PDB
Entry: 2OGP
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Original site: 2OGP 
HEADER    SIGNALING PROTEIN                       07-JAN-07   2OGP              
TITLE     SOLUTION STRUCTURE OF THE SECOND PDZ DOMAIN OF PAR-3                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PARTITIONING-DEFECTIVE 3 HOMOLOG;                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: PDZ2 DOMAIN;                                               
COMPND   5 SYNONYM: PARD-3, PAR-3, ATYPICAL PKC ISOTYPE-SPECIFIC-               
COMPND   6 INTERACTING PROTEIN, ASIP, ATYPICAL PKC-SPECIFIC- BINDING            
COMPND   7 PROTEIN, ASBP;                                                       
COMPND   8 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
SOURCE   3 ORGANISM_COMMON: NORWAY RAT;                                         
SOURCE   4 ORGANISM_TAXID: 10116;                                               
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET32A                                    
KEYWDS    CELL POLARITY, PAR-3, PDZ DOMAIN, SIGNALING PROTEIN                   
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    W.FENG,H.WU,J.CHEN,L.-N.CHAN,M.ZHANG                                  
REVDAT   2   24-FEB-09 2OGP    1       VERSN                                    
REVDAT   1   25-DEC-07 2OGP    0                                                
JRNL        AUTH   H.WU,W.FENG,J.CHEN,L.-N.CHAN,S.HUANG,M.ZHANG                 
JRNL        TITL   PDZ DOMAINS OF PAR-3 AS POTENTIAL PHOSPHOINOSITIDE           
JRNL        TITL 2 SIGNALING INTEGRATORS                                        
JRNL        REF    MOL.CELL                      V.  28   886 2007              
JRNL        REFN                   ISSN 1097-2765                               
JRNL        PMID   18082612                                                     
JRNL        DOI    10.1016/J.MOLCEL.2007.10.028                                 
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3                 KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,        
REMARK   3                 RICE,SIMONSON,WARREN                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2OGP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 16-JAN-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB041113.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : 100MM POTASSIUM PHOSPHATE          
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 1.5MM UNLABELLED PAR-3 PDZ2;       
REMARK 210                                   100MM POTASSIUM PHOSPHATE;         
REMARK 210                                   99.9% D2O; 1.5MM UNIFORMLY 15N     
REMARK 210                                   LABELLED PAR-3 PDZ2; 100MM         
REMARK 210                                   POTASSIUM PHOSPHATE; 90% H2O,      
REMARK 210                                   10% D2O; 1.5MM UNIFORMLY 15N/      
REMARK 210                                   13C LABELLED PAR-3 PDZ2; 100MM     
REMARK 210                                   POTASSIUM PHOSPHATE; 90% H2O,      
REMARK 210                                   10% D2O; 1.5MM UNIFORMLY 15N/      
REMARK 210                                   13C LABELLED PAR-3 PDZ2; 100MM     
REMARK 210                                   POTASSIUM PHOSPHATE; 99.9% D2O     
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY, 3D_15N-SEPARATED_        
REMARK 210                                   NOESY, HNCO, HNCACB, CBCA(CO)      
REMARK 210                                   NH, 3D_13C-SEPARATED_NOESY         
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ, 750 MHZ                   
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CNS 1.1                            
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
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: NULL                                                         
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 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 THR A  31      -58.99     69.59                                   
REMARK 500  1 SER A  48      109.38   -163.05                                   
REMARK 500  1 VAL A  53      105.56    -54.05                                   
REMARK 500  1 ASN A  55      145.45   -173.99                                   
REMARK 500  1 ARG A  67      -45.66   -134.29                                   
REMARK 500  1 LYS A  69     -169.64   -106.39                                   
REMARK 500  1 LYS A  85      -93.47    -55.95                                   
REMARK 500  1 SER A  86      172.74    159.85                                   
REMARK 500  2 SER A  48      110.17   -160.18                                   
REMARK 500  2 ARG A  67      -59.96   -138.13                                   
REMARK 500  2 LYS A  69     -169.07   -110.16                                   
REMARK 500  2 LYS A  85     -112.87   -113.89                                   
REMARK 500  2 SER A  86      165.89    178.90                                   
REMARK 500  2 MET A  99      153.61    -49.35                                   
REMARK 500  2 GLU A 100       76.01     59.60                                   
REMARK 500  2 GLU A 111     -178.31    -56.93                                   
REMARK 500  2 GLU A 112       41.64    -96.14                                   
REMARK 500  3 THR A  31       29.18     47.30                                   
REMARK 500  3 GLU A  32       43.30   -152.87                                   
REMARK 500  3 ASN A  55      149.40    176.02                                   
REMARK 500  3 ARG A  67      -45.79   -133.51                                   
REMARK 500  3 LYS A  69     -169.93   -108.92                                   
REMARK 500  3 ALA A  83       36.88    -96.77                                   
REMARK 500  3 LYS A  85     -112.74   -125.69                                   
REMARK 500  3 SER A  86      177.32    174.92                                   
REMARK 500  3 GLU A 100       75.23     60.10                                   
REMARK 500  4 ARG A  18       65.33   -167.90                                   
REMARK 500  4 THR A  31      -48.04   -150.44                                   
REMARK 500  4 LEU A  34       13.89   -140.14                                   
REMARK 500  4 LYS A  85      -91.67    -92.48                                   
REMARK 500  4 SER A  86      162.99    162.76                                   
REMARK 500  4 GLU A 100       84.93     60.83                                   
REMARK 500  4 GLU A 111      133.03     63.74                                   
REMARK 500  5 THR A  31      -54.88   -120.02                                   
REMARK 500  5 LEU A  34       15.74   -140.72                                   
REMARK 500  5 ASP A  42       70.77     59.65                                   
REMARK 500  5 VAL A  53      101.66    -59.85                                   
REMARK 500  5 ARG A  59       82.93   -152.38                                   
REMARK 500  5 ARG A  67      -46.03   -138.40                                   
REMARK 500  5 LYS A  85      -97.84   -126.61                                   
REMARK 500  5 SER A  86      166.69    166.56                                   
REMARK 500  5 GLU A 100       90.14     60.70                                   
REMARK 500  5 GLU A 112       35.46    -98.39                                   
REMARK 500  6 ASP A  42       65.91     62.91                                   
REMARK 500  6 ARG A  59       81.11   -156.74                                   
REMARK 500  6 ALA A  83       80.48    -67.11                                   
REMARK 500  6 LYS A  85      -97.63    -90.46                                   
REMARK 500  6 SER A  86      178.45    177.88                                   
REMARK 500  6 GLU A 100       84.13     60.36                                   
REMARK 500  7 THR A  31       29.83     48.64                                   
REMARK 500  7 GLU A  32       35.62   -144.04                                   
REMARK 500  7 ASP A  42       82.15     63.27                                   
REMARK 500  7 VAL A  43      -66.66   -104.77                                   
REMARK 500  7 ASN A  55      153.90    178.49                                   
REMARK 500  7 LYS A  69     -169.81   -111.67                                   
REMARK 500  7 LYS A  85      -93.02   -102.60                                   
REMARK 500  7 SER A  86      155.70    163.51                                   
REMARK 500  7 GLU A 100       76.23     59.61                                   
REMARK 500  7 GLU A 111       84.97   -179.86                                   
REMARK 500  8 VAL A  19     -167.21   -110.66                                   
REMARK 500  8 ASP A  42       73.70     59.38                                   
REMARK 500  8 ASN A  55      153.63    176.32                                   
REMARK 500  8 ARG A  59       74.25   -119.96                                   
REMARK 500  8 ARG A  67      -47.41   -139.52                                   
REMARK 500  8 LYS A  85     -108.71   -122.69                                   
REMARK 500  8 SER A  86      169.03    177.60                                   
REMARK 500  8 MET A  99      162.46    -47.42                                   
REMARK 500  8 GLU A 111     -175.18    -66.32                                   
REMARK 500  8 GLU A 112       71.19    -69.03                                   
REMARK 500  9 VAL A  19     -164.05   -115.64                                   
REMARK 500  9 GLU A  32       53.75    -94.48                                   
REMARK 500  9 VAL A  43      -81.07    -60.13                                   
REMARK 500  9 ARG A  59       70.44   -114.26                                   
REMARK 500  9 ARG A  67      -49.19   -139.05                                   
REMARK 500  9 LYS A  69     -169.19   -110.60                                   
REMARK 500  9 LYS A  85      -89.93   -125.06                                   
REMARK 500  9 SER A  86      160.52    167.69                                   
REMARK 500  9 GLU A 100       84.26     60.70                                   
REMARK 500  9 GLU A 112       34.91    -98.65                                   
REMARK 500 10 THR A  31      -58.70     69.03                                   
REMARK 500 10 ARG A  59       89.40   -158.76                                   
REMARK 500 10 ARG A  67      -44.25   -137.48                                   
REMARK 500 10 LYS A  85      -98.03    -98.14                                   
REMARK 500 10 SER A  86      168.33    166.97                                   
REMARK 500 10 GLU A 100       81.92     61.48                                   
REMARK 500 11 ARG A  18      166.52     61.05                                   
REMARK 500 11 ILE A  45       65.54    -69.24                                   
REMARK 500 11 SER A  48      104.34     78.55                                   
REMARK 500 11 VAL A  53      100.56    -59.72                                   
REMARK 500 11 ASN A  55      147.62    173.66                                   
REMARK 500 11 ARG A  59       68.83   -108.68                                   
REMARK 500 11 ARG A  67      -64.95   -107.32                                   
REMARK 500 11 LYS A  85      -87.88   -107.85                                   
REMARK 500 11 SER A  86      154.62    166.70                                   
REMARK 500 11 GLU A 100       79.48    160.78                                   
REMARK 500 12 ARG A  18       77.67     59.93                                   
REMARK 500 12 THR A  31     -178.19     49.12                                   
REMARK 500 12 ASP A  42       67.34     62.09                                   
REMARK 500 12 ARG A  59       71.90   -116.33                                   
REMARK 500 12 ARG A  67      -67.27   -138.99                                   
REMARK 500 12 LYS A  69     -168.43   -111.03                                   
REMARK 500 12 ALA A  83       46.17    -94.47                                   
REMARK 500 12 LYS A  85      -83.67   -124.59                                   
REMARK 500 12 SER A  86      158.32    165.26                                   
REMARK 500 12 GLU A 100       71.92     58.54                                   
REMARK 500 13 ARG A  18       77.86   -111.57                                   
REMARK 500 13 VAL A  43      -71.08    -61.18                                   
REMARK 500 13 ASN A  55      147.86   -179.18                                   
REMARK 500 13 ARG A  67      -45.31   -133.32                                   
REMARK 500 13 LYS A  85      -94.48   -101.32                                   
REMARK 500 13 SER A  86      163.12    163.77                                   
REMARK 500 13 GLU A 100       83.57     59.24                                   
REMARK 500 14 ASN A  55      146.89   -178.31                                   
REMARK 500 14 LYS A  69     -169.87   -107.50                                   
REMARK 500 14 LYS A  85      -95.48    -73.04                                   
REMARK 500 14 SER A  86      168.71    163.97                                   
REMARK 500 14 GLU A 100       80.92     55.59                                   
REMARK 500 15 VAL A  43      -70.84    -77.00                                   
REMARK 500 15 LYS A  69     -169.15   -112.05                                   
REMARK 500 15 ALA A  83       91.61    -60.44                                   
REMARK 500 15 LYS A  85      -92.48   -113.00                                   
REMARK 500 15 SER A  86      165.50    164.94                                   
REMARK 500 15 GLU A 100       83.97     58.83                                   
REMARK 500 15 GLU A 112      -68.67     68.44                                   
REMARK 500 16 ARG A  18     -175.93    -59.98                                   
REMARK 500 16 THR A  31      -52.73   -160.04                                   
REMARK 500 16 GLU A  32       59.45    -90.50                                   
REMARK 500 16 ILE A  45       91.03    -67.91                                   
REMARK 500 16 ASN A  55      144.53   -177.78                                   
REMARK 500 16 LYS A  69     -168.89   -117.11                                   
REMARK 500 16 ALA A  83       41.00    -96.54                                   
REMARK 500 16 LYS A  85      -91.18   -118.42                                   
REMARK 500 16 SER A  86      159.03    164.64                                   
REMARK 500 16 GLU A 100       89.16     61.30                                   
REMARK 500 17 ARG A  18      177.65    -59.81                                   
REMARK 500 17 LYS A  29      108.56    -56.04                                   
REMARK 500 17 THR A  31       29.32   -158.61                                   
REMARK 500 17 GLU A  32       41.12   -163.06                                   
REMARK 500 17 ARG A  67      -45.41   -147.40                                   
REMARK 500 17 LYS A  85      -99.73    -76.41                                   
REMARK 500 17 SER A  86      173.84    167.15                                   
REMARK 500 17 MET A  99      155.20    -46.99                                   
REMARK 500 17 GLU A 100       72.27     55.88                                   
REMARK 500 18 THR A  31      -55.59   -152.25                                   
REMARK 500 18 ASP A  42       61.88     61.36                                   
REMARK 500 18 LYS A  85      -99.64    -67.67                                   
REMARK 500 18 SER A  86      172.92    166.19                                   
REMARK 500 18 GLU A 100       81.84     59.11                                   
REMARK 500 19 ARG A  18       40.69   -175.11                                   
REMARK 500 19 GLU A  32       53.26    -99.48                                   
REMARK 500 19 SER A  48      105.73   -162.44                                   
REMARK 500 19 ASN A  55      158.14    176.09                                   
REMARK 500 19 ARG A  59       89.09   -152.50                                   
REMARK 500 19 ARG A  67      -50.29   -128.11                                   
REMARK 500 19 LYS A  85      -93.14    -91.68                                   
REMARK 500 19 SER A  86      165.45    165.47                                   
REMARK 500 19 GLU A 100       83.06     59.31                                   
REMARK 500 19 GLU A 111      109.70     60.25                                   
REMARK 500 19 GLU A 112       30.99    -98.51                                   
REMARK 500 20 ARG A  18       95.19   -176.22                                   
REMARK 500 20 GLU A  32       50.28    -91.07                                   
REMARK 500 20 ALA A  49      124.55   -172.99                                   
REMARK 500 20 ARG A  59       73.69   -150.22                                   
REMARK 500 20 ARG A  67      -48.24   -142.75                                   
REMARK 500 20 LYS A  69     -169.75   -109.40                                   
REMARK 500 20 LYS A  85      -95.02    -86.37                                   
REMARK 500 20 SER A  86      165.54    166.13                                   
REMARK 500 20 GLU A 100       78.00     55.90                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2OGP A   17   113  UNP    Q9Z340   PARD3_RAT      454    550             
SEQRES   1 A   97  LYS ARG VAL GLY LYS ARG LEU ASN ILE GLN LEU LYS LYS          
SEQRES   2 A   97  GLY THR GLU GLY LEU GLY PHE SER ILE THR SER ARG ASP          
SEQRES   3 A   97  VAL THR ILE GLY GLY SER ALA PRO ILE TYR VAL LYS ASN          
SEQRES   4 A   97  ILE LEU PRO ARG GLY ALA ALA ILE GLN ASP GLY ARG LEU          
SEQRES   5 A   97  LYS ALA GLY ASP ARG LEU ILE GLU VAL ASN GLY VAL ASP          
SEQRES   6 A   97  LEU ALA GLY LYS SER GLN GLU GLU VAL VAL SER LEU LEU          
SEQRES   7 A   97  ARG SER THR LYS MET GLU GLY THR VAL SER LEU LEU VAL          
SEQRES   8 A   97  PHE ARG GLN GLU GLU ALA                                      
HELIX    1   1 GLY A   60  GLY A   66  1                                   7    
HELIX    2   2 SER A   86  THR A   97  1                                  12    
SHEET    1   A 4 LYS A  21  LYS A  28  0                                        
SHEET    2   A 4 THR A 102  ARG A 109 -1  O  LEU A 105   N  ILE A  25           
SHEET    3   A 4 ASP A  72  VAL A  77 -1  N  GLU A  76   O  LEU A 106           
SHEET    4   A 4 VAL A  80  ASP A  81 -1  O  VAL A  80   N  VAL A  77           
SHEET    1   B 2 PHE A  36  SER A  40  0                                        
SHEET    2   B 2 ILE A  51  ILE A  56 -1  O  TYR A  52   N  THR A  39           
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                                                                             
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