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Database: PDB
Entry: 2ENJ
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Original site: 2ENJ 
HEADER    TRANSFERASE                             28-MAR-07   2ENJ              
TITLE     SOLUTION STRUCTURE OF THE C2 DOMAIN FROM HUMAN PROTEIN KINASE C THETA 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN KINASE C THETA TYPE;                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: C2 DOMAIN;                                                 
COMPND   5 SYNONYM: NPKC-THETA;                                                 
COMPND   6 EC: 2.7.11.13;                                                       
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   6 EXPRESSION_SYSTEM_PLASMID: P051205-03;                               
SOURCE   7 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
KEYWDS    BETA-SANDWICH, PHOSPHOTYROSINE BINDING, TCR, T-CELL, DIACYLGLYCEROL,  
KEYWDS   2 PHORBOL ESTER, PKC, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON 
KEYWDS   3 PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL         
KEYWDS   4 GENOMICS/PROTEOMICS INITIATIVE, RSGI, TRANSFERASE                    
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    T.NAGASHIMA,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS 
AUTHOR   2 INITIATIVE (RSGI)                                                    
REVDAT   3   09-SEP-20 2ENJ    1       TITLE  JRNL   REMARK SEQADV              
REVDAT   2   24-FEB-09 2ENJ    1       VERSN                                    
REVDAT   1   01-APR-08 2ENJ    0                                                
JRNL        AUTH   T.NAGASHIMA,F.HAYASHI,S.YOKOYAMA                             
JRNL        TITL   SOLUTION STRUCTURE OF THE C2 DOMAIN FROM HUMAN PROTEIN       
JRNL        TITL 2 KINASE C THETA                                               
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : VNMR 6.1C, CYANA 2.0.17                              
REMARK   3   AUTHORS     : VARIAN (VNMR), GUNTERT, P. (CYANA)                   
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2ENJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 31-MAY-07.                  
REMARK 100 THE DEPOSITION ID IS D_1000026879.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 120MM                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.28MM UNIFORMLY 13C, 15N          
REMARK 210                                   -LABELED PROTEIN; 20MM TRISHCL,    
REMARK 210                                   100MM NACL, 1MM DTT, 0.02%NAN3,    
REMARK 210                                   10% D2O, 90% H2O                   
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_13C-SEPARATED_NOESY; 3D_15N     
REMARK 210                                   -SEPARATED_NOESY                   
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE 20020425, NMRVIEW 5.0.4,   
REMARK 210                                   KUJIRA 0.9822, CYANA 2.0.17        
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS, TARGET       
REMARK 210                                   FUNCTION                           
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 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 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 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  55     -178.51    -69.75                                   
REMARK 500  1 ASN A  65      -74.20   -130.07                                   
REMARK 500  1 LYS A  66      128.29   -175.06                                   
REMARK 500  1 LEU A  81      118.52   -169.48                                   
REMARK 500  2 SER A  -1       75.21   -115.87                                   
REMARK 500  2 PRO A  55     -175.92    -69.81                                   
REMARK 500  2 ASN A  78      107.60    -52.94                                   
REMARK 500  2 LEU A  81      118.84   -169.66                                   
REMARK 500  2 SER A 126      173.96    -57.42                                   
REMARK 500  3 GLN A  21      -72.74   -131.45                                   
REMARK 500  3 ASN A  26       78.18   -109.58                                   
REMARK 500  4 PRO A  55     -177.61    -69.80                                   
REMARK 500  4 LYS A  66       96.69    -61.78                                   
REMARK 500  4 LYS A  77      -59.52   -128.82                                   
REMARK 500  4 LEU A  81      118.42   -161.26                                   
REMARK 500  4 MET A 125       47.56    -90.51                                   
REMARK 500  4 SER A 126      115.37   -173.00                                   
REMARK 500  4 PRO A 128     -174.35    -69.83                                   
REMARK 500  5 GLU A  23      177.43    -59.82                                   
REMARK 500  5 ASN A  26       66.15   -109.94                                   
REMARK 500  5 PRO A  55     -177.91    -69.85                                   
REMARK 500  5 LYS A  77     -175.58    -59.95                                   
REMARK 500  5 ASN A  78      101.08    -55.50                                   
REMARK 500  5 LEU A  81      116.05   -172.41                                   
REMARK 500  5 GLU A 124      147.86   -170.52                                   
REMARK 500  5 PRO A 128     -171.00    -69.78                                   
REMARK 500  6 PRO A  27     -173.02    -69.76                                   
REMARK 500  6 PRO A  55     -175.87    -69.76                                   
REMARK 500  6 ASN A  65      -74.30   -135.00                                   
REMARK 500  6 LYS A  66      130.47   -175.83                                   
REMARK 500  6 LEU A  81      135.04   -173.18                                   
REMARK 500  6 PRO A 128     -170.98    -69.72                                   
REMARK 500  7 CYS A  20       32.14    -96.63                                   
REMARK 500  7 SER A  39     -169.90   -109.93                                   
REMARK 500  7 ASN A  41       54.74   -108.02                                   
REMARK 500  7 THR A  51      171.12    -51.90                                   
REMARK 500  7 PRO A  55     -176.92    -69.73                                   
REMARK 500  7 ASN A  65      -74.42   -131.90                                   
REMARK 500  7 LYS A  66      129.26   -175.18                                   
REMARK 500  7 LEU A  81      115.23   -166.38                                   
REMARK 500  7 MET A 125       52.23   -119.14                                   
REMARK 500  8 ASN A  26       66.11   -109.50                                   
REMARK 500  8 PRO A  50     -177.43    -69.70                                   
REMARK 500  8 PRO A  55     -175.88    -69.78                                   
REMARK 500  8 ASN A  78       42.77   -101.21                                   
REMARK 500  8 SER A 129       47.32   -109.17                                   
REMARK 500  9 PRO A  50     -175.97    -69.77                                   
REMARK 500  9 ASN A  65      -74.89   -125.49                                   
REMARK 500  9 LYS A  66      120.49   -176.70                                   
REMARK 500  9 TYR A  90      -70.81    -61.28                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     110 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2ENJ A    1   125  UNP    Q04759   KPCT_HUMAN       1    125             
SEQADV 2ENJ GLY A   -6  UNP  Q04759              EXPRESSION TAG                 
SEQADV 2ENJ SER A   -5  UNP  Q04759              EXPRESSION TAG                 
SEQADV 2ENJ SER A   -4  UNP  Q04759              EXPRESSION TAG                 
SEQADV 2ENJ GLY A   -3  UNP  Q04759              EXPRESSION TAG                 
SEQADV 2ENJ SER A   -2  UNP  Q04759              EXPRESSION TAG                 
SEQADV 2ENJ SER A   -1  UNP  Q04759              EXPRESSION TAG                 
SEQADV 2ENJ GLY A    0  UNP  Q04759              EXPRESSION TAG                 
SEQADV 2ENJ SER A  126  UNP  Q04759              EXPRESSION TAG                 
SEQADV 2ENJ GLY A  127  UNP  Q04759              EXPRESSION TAG                 
SEQADV 2ENJ PRO A  128  UNP  Q04759              EXPRESSION TAG                 
SEQADV 2ENJ SER A  129  UNP  Q04759              EXPRESSION TAG                 
SEQADV 2ENJ SER A  130  UNP  Q04759              EXPRESSION TAG                 
SEQADV 2ENJ GLY A  131  UNP  Q04759              EXPRESSION TAG                 
SEQRES   1 A  138  GLY SER SER GLY SER SER GLY MET SER PRO PHE LEU ARG          
SEQRES   2 A  138  ILE GLY LEU SER ASN PHE ASP CYS GLY SER CYS GLN SER          
SEQRES   3 A  138  CYS GLN GLY GLU ALA VAL ASN PRO TYR CYS ALA VAL LEU          
SEQRES   4 A  138  VAL LYS GLU TYR VAL GLU SER GLU ASN GLY GLN MET TYR          
SEQRES   5 A  138  ILE GLN LYS LYS PRO THR MET TYR PRO PRO TRP ASP SER          
SEQRES   6 A  138  THR PHE ASP ALA HIS ILE ASN LYS GLY ARG VAL MET GLN          
SEQRES   7 A  138  ILE ILE VAL LYS GLY LYS ASN VAL ASP LEU ILE SER GLU          
SEQRES   8 A  138  THR THR VAL GLU LEU TYR SER LEU ALA GLU ARG CYS ARG          
SEQRES   9 A  138  LYS ASN ASN GLY LYS THR GLU ILE TRP LEU GLU LEU LYS          
SEQRES  10 A  138  PRO GLN GLY ARG MET LEU MET ASN ALA ARG TYR PHE LEU          
SEQRES  11 A  138  GLU MET SER GLY PRO SER SER GLY                              
HELIX    1   1 LEU A   89  ASN A   99  1                                  11    
SHEET    1   A 4 THR A  59  ALA A  62  0                                        
SHEET    2   A 4 LEU A   5  ASP A  13 -1  N  LEU A   5   O  ALA A  62           
SHEET    3   A 4 ARG A 114  TYR A 121 -1  O  ARG A 114   N  ASP A  13           
SHEET    4   A 4 THR A 103  GLU A 108 -1  N  ILE A 105   O  MET A 117           
SHEET    1   B 4 GLY A  42  MET A  52  0                                        
SHEET    2   B 4 TYR A  28  SER A  39 -1  N  VAL A  37   O  MET A  44           
SHEET    3   B 4 VAL A  69  LYS A  75 -1  O  ILE A  73   N  ALA A  30           
SHEET    4   B 4 SER A  83  GLU A  88 -1  O  VAL A  87   N  MET A  70           
CISPEP   1 LYS A  110    PRO A  111          1        -0.17                     
CISPEP   2 LYS A  110    PRO A  111          2        -0.09                     
CISPEP   3 LYS A  110    PRO A  111          3        -0.12                     
CISPEP   4 LYS A  110    PRO A  111          4        -0.05                     
CISPEP   5 LYS A  110    PRO A  111          5        -0.07                     
CISPEP   6 LYS A  110    PRO A  111          6        -0.05                     
CISPEP   7 LYS A  110    PRO A  111          7        -0.09                     
CISPEP   8 LYS A  110    PRO A  111          8        -0.09                     
CISPEP   9 LYS A  110    PRO A  111          9        -0.11                     
CISPEP  10 LYS A  110    PRO A  111         10        -0.04                     
CISPEP  11 LYS A  110    PRO A  111         11        -0.02                     
CISPEP  12 LYS A  110    PRO A  111         12        -0.12                     
CISPEP  13 LYS A  110    PRO A  111         13        -0.14                     
CISPEP  14 LYS A  110    PRO A  111         14        -0.04                     
CISPEP  15 LYS A  110    PRO A  111         15        -0.13                     
CISPEP  16 LYS A  110    PRO A  111         16        -0.08                     
CISPEP  17 LYS A  110    PRO A  111         17        -0.09                     
CISPEP  18 LYS A  110    PRO A  111         18        -0.12                     
CISPEP  19 LYS A  110    PRO A  111         19        -0.08                     
CISPEP  20 LYS A  110    PRO A  111         20        -0.08                     
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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