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Database: PDB
Entry: 2NS5
LinkDB: 2NS5
Original site: 2NS5 
HEADER    SIGNALING PROTEIN                       03-NOV-06   2NS5              
TITLE     THE CONSERVED N-TERMINAL DOMAIN OF PAR-3 ADOPTS A NOVEL PB1-          
TITLE    2 LIKE STRUCTURE REQUIRED FOR PAR-3 OLIGOMERIZATION AND                
TITLE    3 APICAL MEMBRANE LOCALIZATION                                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PARTITIONING-DEFECTIVE 3 HOMOLOG;                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: N-TERMINAL DOMAIN, PB1-LIKE 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;                                                     
COMPND   9 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
SOURCE   3 ORGANISM_COMMON: NORWAY RAT;                                         
SOURCE   4 ORGANISM_TAXID: 10116;                                               
SOURCE   5 GENE: PARD3, PAR3;                                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET32A                                    
KEYWDS    CELL POLARITY, PAR-3, N-TERMINAL DOMAIN, PB1 DOMAIN,                  
KEYWDS   2 ASYMMETRIC MEMBRANE LOCALIZATION, SIGNALING PROTEIN                  
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    W.FENG,H.WU,L.-N.CHAN,M.ZHANG                                         
REVDAT   2   24-FEB-09 2NS5    1       VERSN                                    
REVDAT   1   04-SEP-07 2NS5    0                                                
JRNL        AUTH   W.FENG,H.WU,L.-N.CHAN,M.ZHANG                                
JRNL        TITL   THE PAR-3 NTD ADOPTS A PB1-LIKE STRUCTURE REQUIRED           
JRNL        TITL 2 FOR PAR-3 OLIGOMERIZATION AND MEMBRANE LOCALIZATION          
JRNL        REF    EMBO J.                       V.  26  2786 2007              
JRNL        REFN                   ISSN 0261-4189                               
JRNL        PMID   17476308                                                     
JRNL        DOI    10.1038/SJ.EMBOJ.7601702                                     
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 2NS5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 07-NOV-06.                  
REMARK 100 THE RCSB ID CODE IS RCSB040236.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 100MM SODIUM CHLORIDE              
REMARK 210  PRESSURE                       : 1ATM                               
REMARK 210  SAMPLE CONTENTS                : 1MM UNLABELLED PAR3 V13D NTD;      
REMARK 210                                   100MM SODIUM CHLORIDE; 99.9%       
REMARK 210                                   D2O; 1MM UNIFORMLY 15N             
REMARK 210                                   LABELLED PAR3 V13D NTD; 100MM      
REMARK 210                                   SODIUM CHLORIDE; 90% H2O, 10%      
REMARK 210                                   D2O; 1MM UNIFORMLY 15N/13C         
REMARK 210                                   LABELLED PAR3 V13D NTD; 100MM      
REMARK 210                                   SODIUM CHLORIDE; 90% H2O, 10%      
REMARK 210                                   D2O; 1MM UNIFORMLY 15N/13C         
REMARK 210                                   LABELLED PAR3 V13D NTD; 100MM      
REMARK 210                                   SODIUM CHLORIDE; 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 PRO A  59       61.80    -68.14                                   
REMARK 500  1 HIS A  66      -77.16    -58.62                                   
REMARK 500  1 ASP A  72       35.32   -147.79                                   
REMARK 500  1 ASP A  79      -38.27    179.82                                   
REMARK 500  1 VAL A  85      -67.09    -97.38                                   
REMARK 500  1 LYS A  89       60.81     60.67                                   
REMARK 500  2 ASP A  35      -45.25   -151.55                                   
REMARK 500  2 ALA A  56       34.82     70.58                                   
REMARK 500  2 ARG A  67     -173.84   -176.77                                   
REMARK 500  2 ASP A  72       39.10    -97.04                                   
REMARK 500  2 ASP A  77     -167.54   -100.44                                   
REMARK 500  2 LEU A  78       46.93   -108.95                                   
REMARK 500  2 ASP A  79       27.43   -157.45                                   
REMARK 500  2 GLN A  99       60.74   -105.46                                   
REMARK 500  3 GLU A  17     -175.64     58.63                                   
REMARK 500  3 ARG A  37       31.86    -97.42                                   
REMARK 500  3 HIS A  66      -77.10    -60.53                                   
REMARK 500  3 ASP A  72       39.11   -158.07                                   
REMARK 500  3 ASP A  77     -152.19    -73.68                                   
REMARK 500  3 ASP A  79      -38.97   -137.65                                   
REMARK 500  3 ASP A  80      109.16    -54.70                                   
REMARK 500  3 LYS A  89       71.75     61.68                                   
REMARK 500  3 GLN A  99       59.17   -117.89                                   
REMARK 500  4 GLU A  17     -164.82    -70.75                                   
REMARK 500  4 LYS A  19      120.61   -171.38                                   
REMARK 500  4 ARG A  26       30.92   -143.89                                   
REMARK 500  4 ARG A  37       35.11    -97.97                                   
REMARK 500  4 ARG A  67     -176.93   -174.87                                   
REMARK 500  4 ASP A  72       75.42   -151.80                                   
REMARK 500  4 LEU A  78       42.46   -109.00                                   
REMARK 500  4 ASP A  79       32.30   -157.06                                   
REMARK 500  4 LYS A  89       70.85     58.59                                   
REMARK 500  4 GLN A  99       67.41   -101.55                                   
REMARK 500  5 ARG A  37       44.68    -94.54                                   
REMARK 500  5 HIS A  66      -77.69    -56.18                                   
REMARK 500  5 ASP A  72       32.72   -150.59                                   
REMARK 500  5 ASP A  79       34.28   -150.17                                   
REMARK 500  5 LYS A  89       67.64     61.69                                   
REMARK 500  5 GLN A  99       72.74   -102.88                                   
REMARK 500  6 GLU A  17      162.40     60.31                                   
REMARK 500  6 ARG A  26       29.09   -143.54                                   
REMARK 500  6 HIS A  66      -81.34    -54.29                                   
REMARK 500  6 ASP A  72       40.36    -95.63                                   
REMARK 500  6 ASP A  77     -156.61    -90.81                                   
REMARK 500  6 ASP A  79      -40.70   -171.75                                   
REMARK 500  6 GLN A  99       63.96   -105.23                                   
REMARK 500  7 GLU A  17     -166.79   -114.03                                   
REMARK 500  7 ARG A  37       35.61    -93.85                                   
REMARK 500  7 HIS A  66      -70.60    -63.62                                   
REMARK 500  7 LEU A  78       77.22   -117.38                                   
REMARK 500  7 ASP A  79      -62.12   -174.61                                   
REMARK 500  7 GLN A  99       69.52   -107.23                                   
REMARK 500  8 GLU A  17     -165.21     44.19                                   
REMARK 500  8 HIS A  66      -75.35    -57.41                                   
REMARK 500  8 ASP A  79      -39.45   -176.90                                   
REMARK 500  9 HIS A  66      -77.18    -57.45                                   
REMARK 500  9 ASP A  72       31.96   -152.92                                   
REMARK 500  9 ASP A  79      -44.39   -176.06                                   
REMARK 500  9 ASP A  88      153.46    -47.51                                   
REMARK 500  9 LYS A  89       57.72     35.06                                   
REMARK 500  9 GLN A  99       63.34   -109.72                                   
REMARK 500 10 ARG A  37       30.18    -98.79                                   
REMARK 500 10 ASN A  60      -71.49    -50.08                                   
REMARK 500 10 HIS A  66      -70.11    -52.28                                   
REMARK 500 10 ASP A  72       41.32    -96.19                                   
REMARK 500 10 ASP A  77     -164.92    -79.27                                   
REMARK 500 10 LEU A  78       74.56   -115.96                                   
REMARK 500 10 ASP A  79      -52.93   -175.48                                   
REMARK 500 10 LYS A  89       69.97     60.70                                   
REMARK 500 11 ARG A  37       35.84    -96.90                                   
REMARK 500 11 ALA A  56       36.26     70.31                                   
REMARK 500 11 HIS A  66      -70.75    -53.37                                   
REMARK 500 11 ARG A  67     -177.68   -173.54                                   
REMARK 500 11 ASP A  72       35.96   -172.33                                   
REMARK 500 11 ASP A  79       26.52   -156.56                                   
REMARK 500 11 GLN A  99       69.74   -101.37                                   
REMARK 500 12 ALA A  56       89.38     48.03                                   
REMARK 500 12 ARG A  67     -178.29   -176.53                                   
REMARK 500 12 LEU A  78       78.59   -114.74                                   
REMARK 500 12 ASP A  79      -46.76   -171.59                                   
REMARK 500 13 GLU A  17     -178.98    -60.46                                   
REMARK 500 13 ASP A  35      -42.58   -161.29                                   
REMARK 500 13 ARG A  37       30.55    -96.44                                   
REMARK 500 13 ALA A  56       35.28     71.92                                   
REMARK 500 13 HIS A  66      -70.85    -76.33                                   
REMARK 500 13 ARG A  67     -177.61   -171.21                                   
REMARK 500 13 LEU A  78       76.68   -110.87                                   
REMARK 500 13 ASP A  79      -58.16   -177.55                                   
REMARK 500 14 GLU A  17     -177.54     55.06                                   
REMARK 500 14 ASP A  79       23.63   -152.96                                   
REMARK 500 14 LYS A  89       67.58     60.27                                   
REMARK 500 15 GLU A  17     -164.17     60.44                                   
REMARK 500 15 ASP A  35      -46.39   -135.92                                   
REMARK 500 15 ASN A  60      -73.23    -51.55                                   
REMARK 500 15 ARG A  67     -176.98   -179.34                                   
REMARK 500 15 ASP A  79       30.60   -164.64                                   
REMARK 500 15 LYS A  89       71.55     60.32                                   
REMARK 500 16 GLU A  17     -164.05   -125.55                                   
REMARK 500 16 ALA A  56       31.77     79.59                                   
REMARK 500 16 ARG A  67     -177.48   -177.14                                   
REMARK 500 16 ASP A  79       25.46   -154.48                                   
REMARK 500 16 LYS A  89       74.30     60.93                                   
REMARK 500 17 ARG A  37       39.39    -96.74                                   
REMARK 500 17 HIS A  66      -78.81    -55.26                                   
REMARK 500 17 ASP A  72       77.61   -151.65                                   
REMARK 500 17 ASP A  77     -163.12   -108.48                                   
REMARK 500 17 ASP A  79      -43.78   -164.82                                   
REMARK 500 18 GLU A  17     -177.91     60.59                                   
REMARK 500 18 ARG A  37       35.02    -97.76                                   
REMARK 500 18 HIS A  66      -74.77    -56.08                                   
REMARK 500 18 ASP A  72       34.13   -148.74                                   
REMARK 500 18 ASP A  79       26.88   -148.29                                   
REMARK 500 18 LYS A  89       71.02     57.99                                   
REMARK 500 18 GLN A  99       65.93   -101.44                                   
REMARK 500 19 ARG A  26       31.06   -141.84                                   
REMARK 500 19 HIS A  66      -78.47    -57.49                                   
REMARK 500 19 LEU A  78       44.18   -102.49                                   
REMARK 500 19 ASP A  79       27.52   -155.40                                   
REMARK 500 19 LYS A  89       60.32     60.01                                   
REMARK 500 20 HIS A  66      -76.14    -53.56                                   
REMARK 500 20 ASP A  72       73.01   -156.72                                   
REMARK 500 20 ASP A  77     -162.82   -100.70                                   
REMARK 500 20 LEU A  78       43.49   -105.01                                   
REMARK 500 20 ASP A  79       25.33   -146.30                                   
REMARK 500 20 LYS A  89       70.60     61.09                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2NS5 A   19   100  UNP    Q9Z340   PARD3_RAT        2     83             
SEQADV 2NS5 SER A   16  UNP  Q9Z340              EXPRESSION TAG                 
SEQADV 2NS5 GLU A   17  UNP  Q9Z340              EXPRESSION TAG                 
SEQADV 2NS5 PHE A   18  UNP  Q9Z340              EXPRESSION TAG                 
SEQADV 2NS5 ASP A   30  UNP  Q9Z340    VAL    13 ENGINEERED                     
SEQRES   1 A   85  SER GLU PHE LYS VAL THR VAL CYS PHE GLY ARG THR ARG          
SEQRES   2 A   85  VAL ASP VAL PRO CYS GLY ASP GLY ARG MET LYS VAL PHE          
SEQRES   3 A   85  SER LEU ILE GLN GLN ALA VAL THR ARG TYR ARG LYS ALA          
SEQRES   4 A   85  VAL ALA LYS ASP PRO ASN TYR TRP ILE GLN VAL HIS ARG          
SEQRES   5 A   85  LEU GLU HIS GLY ASP GLY GLY ILE LEU ASP LEU ASP ASP          
SEQRES   6 A   85  ILE LEU CYS ASP VAL ALA ASP ASP LYS ASP ARG LEU VAL          
SEQRES   7 A   85  ALA VAL PHE ASP GLU GLN ASP                                  
HELIX    1   1 LYS A   39  VAL A   55  1                                  17    
HELIX    2   2 ILE A   81  ALA A   86  1                                   6    
SHEET    1   A 5 THR A  27  CYS A  33  0                                        
SHEET    2   A 5 PHE A  18  PHE A  24 -1  N  VAL A  22   O  VAL A  29           
SHEET    3   A 5 ASP A  90  GLU A  98  1  O  LEU A  92   N  CYS A  23           
SHEET    4   A 5 ILE A  63  GLU A  69 -1  N  GLU A  69   O  VAL A  93           
SHEET    5   A 5 ILE A  75  LEU A  76 -1  O  LEU A  76   N  LEU A  68           
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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