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Database: PDB
Entry: 2KRK
LinkDB: 2KRK
Original site: 2KRK 
HEADER    PROTEIN BINDING                         18-DEC-09   2KRK              
TITLE     SOLUTION NMR STRUCTURE OF 26S PROTEASE REGULATORY SUBUNIT 8           
TITLE    2 FROM H.SAPIENS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM             
TITLE    3 TARGET TARGET HR3102A                                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: 26S PROTEASE REGULATORY SUBUNIT 8;                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 320-395;                        
COMPND   5 SYNONYM: PROTEASOME 26S SUBUNIT ATPASE 5, PROTEASOME                 
COMPND   6 SUBUNIT P45, P45/SUG, THYROID HORMONE RECEPTOR-INTERACTING           
COMPND   7 PROTEIN 1, TRIP1;                                                    
COMPND   8 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: PSMC5, SUG1;                                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC;                          
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET 14-15C                                 
KEYWDS    STRUCTURAL GENOMICS, NORTHEAST STRUCTURAL GENOMICS                    
KEYWDS   2 CONSORTIUM (NESG), TARGET HR3102A, PSI-2, PROTEIN STRUCTURE          
KEYWDS   3 INITIATIVE, ACETYLATION, ATP-BINDING, CYTOPLASM,                     
KEYWDS   4 NUCLEOTIDE-BINDING, NUCLEUS, POLYMORPHISM, PROTEASOME, ATP-          
KEYWDS   5 DEPENDENT DEGRADATION                                                
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    G.LIU,J.JANJUA,R.XIAO,C.CICCOSANTI,R.SHASTRY,J.K.EVERETT,             
AUTHOR   2 R.NAIR,T.B.ACTON,B.ROST,G.T.MONTELIONE,NORTHEAST STRUCTURAL          
AUTHOR   3 GENOMICS CONSORTIUM (NESG)                                           
REVDAT   1   12-JAN-10 2KRK    0                                                
JRNL        AUTH   G.LIU,J.JANJUA,R.XIAO,C.CICCOSANTI,R.SHASTRY,                
JRNL        AUTH 2 E.K.EVERETT,R.NAIR,A.B.ACTON,B.ROST,G.T.MONTELIONE           
JRNL        TITL   SOLUTION NMR STRUCTURE OF 26S PROTEASE REGULATORY            
JRNL        TITL 2 SUBUNIT 8 FROM H.SAPIENS, NORTHEAST STRUCTURAL               
JRNL        TITL 3 GENOMICS CONSORTIUM TARGET HR3102A                           
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS, CYANA 3.0, AUTOSTRUCTURE 2.1                    
REMARK   3   AUTHORS     : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ         
REMARK   3                 (CNS), GUNTERT, MUMENTHALER AND WUTHRICH (CYANA)     
REMARK   3                 , HUANG, TEJERO, POWERS AND MONTELIONE               
REMARK   3                 (AUTOSTRUCTURE)                                      
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2KRK COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-DEC-09.                  
REMARK 100 THE RCSB ID CODE IS RCSB101485.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.82 MM [U-100% 13C; U-100%        
REMARK 210                                   15N] HR3102A, 95% H2O/5% D2O;      
REMARK 210                                   0.52 MM [U-10% 13C; U-100%         
REMARK 210                                   15N] HR3102A, 95% H2O/5% D2O       
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C          
REMARK 210                                   HSQC; 3D HNCO; 3D CBCA(CO)NH;      
REMARK 210                                   3D HNCACB; 3D 1H-13C AROM          
REMARK 210                                   NOESY; 3D SIMUTANEOUS 13C-         
REMARK 210                                   AROMATIC,13C-ALIPHATIC,15N         
REMARK 210                                   EDITED 1H-1H NOESY; GFT            
REMARK 210                                   HABCABCONHN                        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ; 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE; INOVA                      
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER; VARIAN                     
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CNS, CYANA 3.0, AUTOSTRUCTURE      
REMARK 210                                   2.1, AUTOASSIGN 2.1, NMRPIPE,      
REMARK 210                                   XEASY, TOPSPIN, VNMRJ              
REMARK 210   METHOD USED                   : SIMULATED ANNEALING,               
REMARK 210                                   MOLECULAR DYNAMICS, AND            
REMARK 210                                   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 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 HIS A   5      -66.06   -127.63                                   
REMARK 500  1 HIS A   6       95.22    -69.48                                   
REMARK 500  2 HIS A  10       93.64     62.45                                   
REMARK 500  2 MET A  27     -169.95   -108.00                                   
REMARK 500  2 MET A  42       79.69   -118.70                                   
REMARK 500  2 GLN A  83       70.52     54.33                                   
REMARK 500  3 SER A   9      -90.89   -160.39                                   
REMARK 500  3 ASP A  85      -54.76   -123.12                                   
REMARK 500  4 HIS A   5      100.03    -56.66                                   
REMARK 500  4 LYS A  84       92.85    -68.88                                   
REMARK 500  5 PRO A  43       45.35    -74.78                                   
REMARK 500  5 ALA A  45      125.79     59.96                                   
REMARK 500  6 HIS A   3      140.00   -171.69                                   
REMARK 500  6 SER A   9      101.72     67.30                                   
REMARK 500  6 PRO A  43      -80.29    -61.92                                   
REMARK 500  7 ASP A  85       85.04     61.43                                   
REMARK 500  8 HIS A   8       35.96    -82.69                                   
REMARK 500  8 PRO A  43      -82.44    -66.94                                   
REMARK 500  9 HIS A   4       99.41    -65.28                                   
REMARK 500  9 HIS A  10      102.38   -162.06                                   
REMARK 500  9 ARG A  25        7.12    -68.72                                   
REMARK 500 10 HIS A   4       35.76    -87.17                                   
REMARK 500 10 HIS A   6      -29.56   -160.53                                   
REMARK 500 10 ASN A  28       87.29    -69.59                                   
REMARK 500 11 HIS A  10      101.96     62.97                                   
REMARK 500 12 HIS A  10       72.55     59.08                                   
REMARK 500 12 ASP A  85      -71.72     67.39                                   
REMARK 500 13 HIS A   6       -0.62     66.49                                   
REMARK 500 13 ILE A  33      100.23    -58.51                                   
REMARK 500 13 VAL A  81      -62.14    -90.62                                   
REMARK 500 15 HIS A   5       80.89    -68.86                                   
REMARK 500 15 HIS A  10       74.30     55.55                                   
REMARK 500 15 ARG A  25        4.34    -68.99                                   
REMARK 500 15 PRO A  43     -163.99    -58.87                                   
REMARK 500 16 HIS A   4       80.71   -156.48                                   
REMARK 500 16 HIS A  10       70.36     54.46                                   
REMARK 500 16 MET A  42       75.92   -118.63                                   
REMARK 500 16 GLN A  83       71.00     60.70                                   
REMARK 500 17 PRO A  43      -74.10    -67.14                                   
REMARK 500 17 GLN A  83       70.24     51.50                                   
REMARK 500 18 HIS A   4       48.69    -77.25                                   
REMARK 500 18 HIS A  10       75.73     55.31                                   
REMARK 500 18 SER A  46     -169.53   -115.40                                   
REMARK 500 19 HIS A   3      -78.05   -130.36                                   
REMARK 500 19 ASP A  85       89.79     63.88                                   
REMARK 500 20 THR A  30     -173.39    -68.63                                   
REMARK 500 20 GLN A  83        9.01     55.72                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 16640   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: HR3102A   RELATED DB: TARGETDB                           
DBREF  2KRK A   11    86  UNP    P62195   PRS8_HUMAN     320    395             
SEQADV 2KRK MET A    1  UNP  P62195              EXPRESSION TAG                 
SEQADV 2KRK GLY A    2  UNP  P62195              EXPRESSION TAG                 
SEQADV 2KRK HIS A    3  UNP  P62195              EXPRESSION TAG                 
SEQADV 2KRK HIS A    4  UNP  P62195              EXPRESSION TAG                 
SEQADV 2KRK HIS A    5  UNP  P62195              EXPRESSION TAG                 
SEQADV 2KRK HIS A    6  UNP  P62195              EXPRESSION TAG                 
SEQADV 2KRK HIS A    7  UNP  P62195              EXPRESSION TAG                 
SEQADV 2KRK HIS A    8  UNP  P62195              EXPRESSION TAG                 
SEQADV 2KRK SER A    9  UNP  P62195              EXPRESSION TAG                 
SEQADV 2KRK HIS A   10  UNP  P62195              EXPRESSION TAG                 
SEQRES   1 A   86  MET GLY HIS HIS HIS HIS HIS HIS SER HIS PRO ASN GLU          
SEQRES   2 A   86  GLU ALA ARG LEU ASP ILE LEU LYS ILE HIS SER ARG LYS          
SEQRES   3 A   86  MET ASN LEU THR ARG GLY ILE ASN LEU ARG LYS ILE ALA          
SEQRES   4 A   86  GLU LEU MET PRO GLY ALA SER GLY ALA GLU VAL LYS GLY          
SEQRES   5 A   86  VAL CYS THR GLU ALA GLY MET TYR ALA LEU ARG GLU ARG          
SEQRES   6 A   86  ARG VAL HIS VAL THR GLN GLU ASP PHE GLU MET ALA VAL          
SEQRES   7 A   86  ALA LYS VAL MET GLN LYS ASP SER                              
HELIX    1   1 ASN A   12  SER A   24  1                                  13    
HELIX    2   2 LEU A   35  LEU A   41  1                                   7    
HELIX    3   3 SER A   46  GLU A   64  1                                  19    
HELIX    4   4 THR A   70  GLN A   83  1                                  14    
SHEET    1   A 2 ASN A  28  LEU A  29  0                                        
SHEET    2   A 2 HIS A  68  VAL A  69  1  O  VAL A  69   N  ASN A  28           
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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