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Database: PDB
Entry: 2JO8
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Original site: 2JO8 
HEADER    TRANSFERASE                             26-FEB-07   2JO8              
TITLE     SOLUTION STRUCTURE OF C-TERMINAL DOMAIN OF HUMAN MAMMALIAN            
TITLE    2 STERILE 20-LIKE KINASE 1 (MST1)                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 4;                         
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: C-TERMINAL SARAH DOMAIN, DATABASE RESIDUES 432-            
COMPND   5 480;                                                                 
COMPND   6 SYNONYM: STE20-LIKE KINASE MST1, MST-1, MAMMALIAN STE20-             
COMPND   7 LIKE PROTEIN KINASE 1, SERINE/THREONINE-PROTEIN KINASE KRS-          
COMPND   8 2;                                                                   
COMPND   9 EC: 2.7.11.1;                                                        
COMPND  10 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: STK4, MST1;                                                    
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PGEX4T-1                                   
KEYWDS    PROTEIN, C-TERMINAL DOMAIN, HUMAN MAMMALIAN STERILE 20-LIKE           
KEYWDS   2 KINASE 1, DIMER, TRANSFERASE                                         
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    E.HWANG,K.-S.RYU,K.PAAKKONEN,P.GUNTERT,H.-K.CHEONG,D.-S.LIM,          
AUTHOR   2 J.O.LEE,Y.H.JEON,C.CHEONG                                            
REVDAT   3   24-FEB-09 2JO8    1       VERSN                                    
REVDAT   2   19-JUN-07 2JO8    1       JRNL                                     
REVDAT   1   15-MAY-07 2JO8    0                                                
JRNL        AUTH   E.HWANG,K.-S.RYU,K.PAAKKONEN,P.GUNTERT,H.-K.CHEONG,          
JRNL        AUTH 2 D.-S.LIM,J.-O.LEE,Y.H.JEON,C.CHEONG                          
JRNL        TITL   STRUCTURAL INSIGHT INTO DIMERIC INTERACTION OF THE           
JRNL        TITL 2 SARAH DOMAINS FROM MST1 AND RASSF FAMILY PROTEINS            
JRNL        TITL 3 IN THE APOPTOSIS PATHWAY                                     
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 104  9236 2007              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   17517604                                                     
JRNL        DOI    10.1073/PNAS.0610716104                                      
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : OPAL                                                 
REMARK   3   AUTHORS     : LUGINBUHL, GUNTERT, BILLETER AND WUTHRICH            
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2JO8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-MAR-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB100080.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7                                  
REMARK 210  IONIC STRENGTH                 : 125                                
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1 MM [U-13C; U-15N] C-             
REMARK 210                                   TERMINAL DOMAIN OF MAMMALIAN       
REMARK 210                                   STERILE 20-LIKE KINASE 1, 100      
REMARK 210                                   MM SODIUM CHLORIDE, 2 MM DTT,      
REMARK 210                                   25 MM HEPES, 90% H2O/10% D2O       
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D CBCA(CO)NH, 3D CBCANH, 3D       
REMARK 210                                   HN(CA)CO, 3D HNCO, 3D HNCA, 3D     
REMARK 210                                   HBHA(CO)NH, 3D H(CCO)NH, 3D        
REMARK 210                                   C(CCO)NH, 3D HCCH-COSY, 3D CCH     
REMARK 210                                   -TOCSY, 3D HCCH-TOCSY, 3D 1H-      
REMARK 210                                   15N NOESY, 3D 1H-13C NOESY, 2D     
REMARK 210                                   1H-15N HSQC, 2D 1H-13C HSQC,       
REMARK 210                                   3D FILTER-EDITED 1H-15N NOESY,     
REMARK 210                                   3D FILTER-EDITED 1H-13C NOESY,     
REMARK 210                                   2D IPAP-1H-15N HSQC                
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ, 800 MHZ, 900 MHZ          
REMARK 210  SPECTROMETER MODEL             : AVANCE, AVANCE II                  
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CYANA 2.1, NMRPIPE, SPARKY,        
REMARK 210                                   TALOS, TOPSPIN                     
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  : TARGET 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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500  2 ARG A  18   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500  2 ARG A  18   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500 10 ARG B 134   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500 17 ARG A  18   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500 19 ARG B 141   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.2 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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  3 TYR B 104       -0.87   -142.64                                   
REMARK 500  5 TYR B 104       13.40   -153.60                                   
REMARK 500  5 PHE B 106        2.27    -67.91                                   
REMARK 500  6 SER A   2      -62.34   -106.01                                   
REMARK 500  6 SER B 102     -144.77    -86.60                                   
REMARK 500  7 TYR B 104       23.53   -145.92                                   
REMARK 500  8 TYR A   4       37.45   -147.85                                   
REMARK 500  8 TYR B 104       13.61   -140.18                                   
REMARK 500  9 SER A   2       99.54    -41.85                                   
REMARK 500  9 TYR B 104       -4.28   -142.55                                   
REMARK 500 10 TYR A   4       18.13   -149.09                                   
REMARK 500 12 ASP B 103      106.98    -52.27                                   
REMARK 500 12 TYR B 104        4.00   -152.85                                   
REMARK 500 13 SER A   2       65.56   -159.27                                   
REMARK 500 14 SER A   2      126.77   -179.04                                   
REMARK 500 14 SER B 102      132.79   -174.94                                   
REMARK 500 15 ASP A   3       42.26    -67.26                                   
REMARK 500 20 TYR A   4       16.97   -142.55                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 TYR A   4         0.11    SIDE_CHAIN                              
REMARK 500  5 TYR A   4         0.07    SIDE_CHAIN                              
REMARK 500  5 ARG A  34         0.09    SIDE_CHAIN                              
REMARK 500  6 ARG A  41         0.08    SIDE_CHAIN                              
REMARK 500  9 ARG A  34         0.11    SIDE_CHAIN                              
REMARK 500 13 ARG B 118         0.09    SIDE_CHAIN                              
REMARK 500 13 ARG B 134         0.08    SIDE_CHAIN                              
REMARK 500 14 TYR A   4         0.07    SIDE_CHAIN                              
REMARK 500 15 TYR B 104         0.09    SIDE_CHAIN                              
REMARK 500 16 ARG A  34         0.09    SIDE_CHAIN                              
REMARK 500 17 ARG A  34         0.11    SIDE_CHAIN                              
REMARK 500 18 ARG B 118         0.10    SIDE_CHAIN                              
REMARK 500 18 ARG B 141         0.08    SIDE_CHAIN                              
REMARK 500 20 ARG A  34         0.08    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2JO8 A    3    51  UNP    Q13043   STK4_HUMAN     432    480             
DBREF  2JO8 B  103   151  UNP    Q13043   STK4_HUMAN     432    480             
SEQADV 2JO8 GLY A    1  UNP  Q13043              CLONING ARTIFACT               
SEQADV 2JO8 SER A    2  UNP  Q13043              CLONING ARTIFACT               
SEQADV 2JO8 GLY B  101  UNP  Q13043              CLONING ARTIFACT               
SEQADV 2JO8 SER B  102  UNP  Q13043              CLONING ARTIFACT               
SEQRES   1 A   51  GLY SER ASP TYR GLU PHE LEU LYS SER TRP THR VAL GLU          
SEQRES   2 A   51  ASP LEU GLN LYS ARG LEU LEU ALA LEU ASP PRO MET MET          
SEQRES   3 A   51  GLU GLN GLU ILE GLU GLU ILE ARG GLN LYS TYR GLN SER          
SEQRES   4 A   51  LYS ARG GLN PRO ILE LEU ASP ALA ILE GLU ALA LYS              
SEQRES   1 B   51  GLY SER ASP TYR GLU PHE LEU LYS SER TRP THR VAL GLU          
SEQRES   2 B   51  ASP LEU GLN LYS ARG LEU LEU ALA LEU ASP PRO MET MET          
SEQRES   3 B   51  GLU GLN GLU ILE GLU GLU ILE ARG GLN LYS TYR GLN SER          
SEQRES   4 B   51  LYS ARG GLN PRO ILE LEU ASP ALA ILE GLU ALA LYS              
HELIX    1   1 TYR A    4  TRP A   10  5                                   7    
HELIX    2   2 THR A   11  GLU A   49  1                                  39    
HELIX    3   3 GLU B  105  TRP B  110  5                                   6    
HELIX    4   4 THR B  111  GLU B  149  1                                  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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