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Database: PDB
Entry: 5HUZ
LinkDB: 5HUZ
Original site: 5HUZ 
HEADER    SIGNALING PROTEIN                       27-JAN-16   5HUZ              
TITLE     SOLUTION STRUCTURE OF COILED COIL DOMAIN OF MYOSIN BINDING SUBUNIT OF 
TITLE    2 MYOSIN LIGHT CHAIN PHOSPHATASE                                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 12A;              
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: RESIDUES 931-978;                                          
COMPND   5 SYNONYM: MYOSIN PHOSPHATASE-TARGETING SUBUNIT 1,MYOSIN PHOSPHATASE   
COMPND   6 TARGET SUBUNIT 1,PROTEIN PHOSPHATASE MYOSIN-BINDING SUBUNIT;         
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 CELL_LINE: BACTERIA;                                                 
SOURCE   6 GENE: PPP1R12A, MBS, MYPT1;                                          
SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE  10 EXPRESSION_SYSTEM_ORGAN: HOMO SAPIENS;                               
SOURCE  11 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  12 EXPRESSION_SYSTEM_PLASMID: PET28A                                    
KEYWDS    VASCULAR SMOOTH MUSCLE CELL, SIGNALING PROTEIN                        
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    A.K.SHARMA,G.BIRRANE,C.ANKLIN,A.C.RIGBY,M.POLLAK,S.L.ALPER            
REVDAT   2   10-AUG-16 5HUZ    1       SPRSDE JRNL   SEQRES                     
REVDAT   1   02-MAR-16 5HUZ    0                                                
SPRSDE     10-AUG-16 5HUZ      2MXR                                             
JRNL        AUTH   A.K.SHARMA,A.C.RIGBY                                         
JRNL        TITL   TO BE PUBLISHED                                              
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   A.K.SHARMA,A.C.RIGBY                                         
REMARK   1  TITL   NMR ASSIGNMENT AND SECONDARY STRUCTURE OF COILED COIL DOMAIN 
REMARK   1  TITL 2 OF C-TERMINAL MYOSIN BINDING SUBUNIT OF MYOSIN PHOSPHATASE   
REMARK   1  REF    PROTEIN PEPT LETT.            V.1(7)   639 2014              
REMARK   1  REFN                   ISSN 0929-8665                               
REMARK   1  PMID   24693955                                                     
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.3                                              
REMARK   3   AUTHORS     : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5HUZ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-JAN-16.                  
REMARK 100 THE DEPOSITION ID IS D_1000217797.                                   
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                 : 10                                 
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 1.0 MM [U-99% 13C; U-99% 15N]      
REMARK 210                                   COILED COIL MBS-1, 1.0 MM [U-99%   
REMARK 210                                   15N] COILED COIL MBS-2, 1.0 MM     
REMARK 210                                   COILED COIL MBS-3, 90% H2O/10%     
REMARK 210                                   D2O                                
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-15N HSQC     
REMARK 210                                   NH2 ONLY; 2D 1H-13C HSQC; 3D       
REMARK 210                                   CBCA(CO)NH; 3D C(CO)NH; 3D HNCO;   
REMARK 210                                   3D HNCA; 3D HNCACB; 3D HBHA(CO)    
REMARK 210                                   NH; 3D HN(CO)CA; 3D HCCH-TOCSY;    
REMARK 210                                   3D H(CCO)NH; 3D 1H-15N NOESY; 3D   
REMARK 210                                   1H-13C NOESY; 2D 1H-1H NOESY;      
REMARK 210                                   ISOTOPE FILTERED 3D 1H-13C NOESY;  
REMARK 210                                   ISOTOPE FILTERED 3D 1H-15N         
REMARK 210                                   NOESY; ISOTOPE FILTERED 2D NOESY   
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 700 MHZ; 800 MHZ          
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE, ANALYSIS 2.4.0, ANSIG,    
REMARK 210                                   CYANA 3.97                         
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS,            
REMARK 210                                   MOLECULAR DYNAMICS                 
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 20                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS               
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: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465   MODELS 1-20                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     ALA A    45                                                      
REMARK 465     ASP A    46                                                      
REMARK 465     ARG A    47                                                      
REMARK 465     SER A    48                                                      
REMARK 465     ALA B   145                                                      
REMARK 465     ASP B   146                                                      
REMARK 465     ARG B   147                                                      
REMARK 465     SER B   148                                                      
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 ALA A  37       61.10     82.39                                   
REMARK 500  1 ARG A  43      -79.60     59.40                                   
REMARK 500  1 ARG B 140      162.83     68.97                                   
REMARK 500  1 GLU B 142       62.78   -108.06                                   
REMARK 500  2 ALA A  37       57.58     81.97                                   
REMARK 500  2 GLN A  39      -62.20   -121.52                                   
REMARK 500  2 GLN A  41      -99.29   -103.42                                   
REMARK 500  2 GLU A  42      -47.36   -174.47                                   
REMARK 500  2 THR B 138      -69.09   -124.91                                   
REMARK 500  2 GLN B 139      -27.28   -178.85                                   
REMARK 500  2 ARG B 140      159.48     66.44                                   
REMARK 500  2 GLU B 142       27.23     46.68                                   
REMARK 500  3 ALA A  37       44.13     82.70                                   
REMARK 500  3 ARG A  43      -71.46     69.26                                   
REMARK 500  3 THR B 138      -69.18   -147.88                                   
REMARK 500  3 GLN B 139      -22.91   -178.57                                   
REMARK 500  3 ARG B 140      153.87     68.80                                   
REMARK 500  3 ARG B 143      -65.51    -90.40                                   
REMARK 500  4 ALA A  37       55.79     84.78                                   
REMARK 500  4 ARG A  43      -72.93     70.25                                   
REMARK 500  4 THR B 138      -77.69   -142.99                                   
REMARK 500  4 GLN B 139      -28.22   -172.17                                   
REMARK 500  4 ARG B 140      161.00     68.35                                   
REMARK 500  4 ARG B 143      -80.50     64.76                                   
REMARK 500  5 ALA A  37       65.60     83.38                                   
REMARK 500  5 THR A  38      163.00    -39.40                                   
REMARK 500  5 ARG A  43      -69.91     69.08                                   
REMARK 500  5 ARG B 140      131.55     64.16                                   
REMARK 500  5 GLU B 142       40.33   -106.37                                   
REMARK 500  6 ALA A  37       62.94     81.60                                   
REMARK 500  6 THR B 138      -60.73   -148.59                                   
REMARK 500  6 GLN B 139      -28.90   -178.27                                   
REMARK 500  6 ARG B 140      170.21     63.43                                   
REMARK 500  7 ALA A  37       58.51     83.15                                   
REMARK 500  7 THR B 138      -69.18   -143.86                                   
REMARK 500  7 GLN B 139      -22.26   -173.77                                   
REMARK 500  7 ARG B 140      165.89     69.04                                   
REMARK 500  8 ALA A  37       41.68     81.54                                   
REMARK 500  8 THR B 138      -80.56    -95.10                                   
REMARK 500  8 GLN B 139      -26.41    179.59                                   
REMARK 500  8 ARG B 140      135.42     70.31                                   
REMARK 500  9 ALA A  37       63.74     82.01                                   
REMARK 500  9 ARG A  40      139.02   -175.92                                   
REMARK 500 10 ALA A  37       68.12     82.48                                   
REMARK 500 10 THR A  38      171.19    -36.88                                   
REMARK 500 10 GLN A  39      -34.75   -143.37                                   
REMARK 500 10 THR B 138      -65.65   -145.48                                   
REMARK 500 10 GLN B 139      -18.64    170.94                                   
REMARK 500 10 ARG B 140     -176.88     66.63                                   
REMARK 500 10 GLU B 142       16.42     57.70                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     100 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 30005   RELATED DB: BMRB                                 
DBREF  5HUZ A    1    48  UNP    O14974   MYPT1_HUMAN    931    978             
DBREF  5HUZ B  101   148  UNP    O14974   MYPT1_HUMAN    931    978             
SEQRES   1 A   48  ASP PHE LYS LYS LEU TYR GLU GLN ILE LEU ALA GLU ASN          
SEQRES   2 A   48  GLU LYS LEU LYS ALA GLN LEU HIS ASP THR ASN MET GLU          
SEQRES   3 A   48  LEU THR ASP LEU LYS LEU GLN LEU GLU LYS ALA THR GLN          
SEQRES   4 A   48  ARG GLN GLU ARG PHE ALA ASP ARG SER                          
SEQRES   1 B   48  ASP PHE LYS LYS LEU TYR GLU GLN ILE LEU ALA GLU ASN          
SEQRES   2 B   48  GLU LYS LEU LYS ALA GLN LEU HIS ASP THR ASN MET GLU          
SEQRES   3 B   48  LEU THR ASP LEU LYS LEU GLN LEU GLU LYS ALA THR GLN          
SEQRES   4 B   48  ARG GLN GLU ARG PHE ALA ASP ARG SER                          
HELIX    1 AA1 ASP A    1  LYS A   36  1                                  36    
HELIX    2 AA2 PHE B  102  THR B  138  1                                  37    
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      0.001000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.001000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.001000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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