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Database: PDB
Entry: 5GVQ
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HEADER    RNA BINDING PROTEIN                     06-SEP-16   5GVQ              
TITLE     SOLUTION STRUCTURE OF THE FIRST RRM DOMAIN OF HUMAN SPLICEOSOMAL      
TITLE    2 PROTEIN SF3B49                                                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SPLICING FACTOR 3B SUBUNIT 4;                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: SPLICEOSOMAL PROTEIN SF3B49, PRE-MRNA-SPLICING FACTOR SF3B  
COMPND   5 49 KDA SUBUNIT,SPLICEOSOME-ASSOCIATED PROTEIN 49,SAP 49;             
COMPND   6 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: SF3B4, SAP49;                                                  
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    RRM, SF3B49, SF3B145, U2 SNRNP, RNA BINDING PROTEIN, STRUCTURAL       
KEYWDS   2 GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI      
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    K.KUWASAKO,N.NAMEKI,K.TSUDA,M.TAKAHASHI,A.SATO,N.TOCHIO,M.INOUE,      
AUTHOR   2 T.TERADA,T.KIGAWA,N.KOBAYASHI,M.SHIROUZU,T.ITO,T.SAKAMOTO,           
AUTHOR   3 K.WAKAMATSU,P.GUNTERT,S.TAKAHASHI,S.YOKOYAMA,Y.MUTO,RIKEN STRUCTURAL 
AUTHOR   4 GENOMICS/PROTEOMICS INITIATIVE (RSGI)                                
REVDAT   1   12-APR-17 5GVQ    0                                                
SPRSDE     12-APR-17 5GVQ      1X5U                                             
JRNL        AUTH   K.KUWASAKO,N.NAMEKI,K.TSUDA,M.TAKAHASHI,A.SATO,N.TOCHIO,     
JRNL        AUTH 2 M.INOUE,T.TERADA,T.KIGAWA,N.KOBAYASHI,M.SHIROUZU,T.ITO,      
JRNL        AUTH 3 T.SAKAMOTO,K.WAKAMATSU,P.GUNTERT,S.TAKAHASHI,S.YOKOYAMA,     
JRNL        AUTH 4 Y.MUTO                                                       
JRNL        TITL   SOLUTION STRUCTURE OF THE FIRST RNA RECOGNITION MOTIF DOMAIN 
JRNL        TITL 2 OF HUMAN SPLICEOSOMAL PROTEIN SF3B49 AND ITS MODE OF         
JRNL        TITL 3 INTERACTION WITH A SF3B145 FRAGMENT.                         
JRNL        REF    PROTEIN SCI.                  V.  26   280 2017              
JRNL        REFN                   ESSN 1469-896X                               
JRNL        PMID   27862552                                                     
JRNL        DOI    10.1002/PRO.3080                                             
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : AMBER                                                
REMARK   3   AUTHORS     : CASE, DARDEN, CHEATHAM III, SIMMERLING, WANG,        
REMARK   3                 DUKE, LUO, ... AND KOLLMAN                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5GVQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 08-SEP-16.                  
REMARK 100 THE DEPOSITION ID IS D_1300001189.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 100                                
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 0.8 MM [U-100% 13C; U-100% 15N]    
REMARK 210                                   HUMAN SPLICEOSOMAL PROTEIN         
REMARK 210                                   SF3B49, 90% H2O/10% D2O            
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D 1H-15N NOESY; 3D 1H-13C         
REMARK 210                                   NOESY; 2D 1H-15N HSQC; 2D 1H-13C   
REMARK 210                                   HSQC                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CYANA, KUJIRA, NMRVIEW, NMRPIPE    
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
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: 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: 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  1 ARG A  12   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500  2 ARG A  12   NE  -  CZ  -  NH1 ANGL. DEV. =   3.7 DEGREES          
REMARK 500  3 ARG A  88   NE  -  CZ  -  NH1 ANGL. DEV. =   3.2 DEGREES          
REMARK 500 16 ARG A  12   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500 17 ARG A  88   NE  -  CZ  -  NH1 ANGL. DEV. =   3.2 DEGREES          
REMARK 500 20 ARG A  12   NE  -  CZ  -  NH1 ANGL. DEV. =   3.5 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  1 VAL A  52      -37.36   -131.31                                   
REMARK 500  1 LYS A  81       72.07   -104.64                                   
REMARK 500  1 TYR A  83       28.69     46.44                                   
REMARK 500  1 HIS A  95      -69.99   -120.49                                   
REMARK 500  2 VAL A  52      -31.55   -135.01                                   
REMARK 500  2 MET A  79       13.97     59.03                                   
REMARK 500  2 LYS A  81       71.01   -113.70                                   
REMARK 500  2 TYR A  83       28.55     46.89                                   
REMARK 500  2 ALA A  94       75.76     40.64                                   
REMARK 500  3 ASN A  13       98.19    -69.31                                   
REMARK 500  3 VAL A  52      -37.88   -132.16                                   
REMARK 500  3 MET A  79       11.81     59.88                                   
REMARK 500  3 LYS A  81       70.52   -108.86                                   
REMARK 500  4 GLN A  14      -40.79   -145.78                                   
REMARK 500  4 VAL A  52      -37.48   -131.36                                   
REMARK 500  4 LYS A  81       71.23   -118.83                                   
REMARK 500  4 TYR A  83       27.58     46.27                                   
REMARK 500  4 LYS A  97       44.63    -81.98                                   
REMARK 500  5 VAL A  52      -37.94   -132.06                                   
REMARK 500  5 MET A  79        9.58     58.26                                   
REMARK 500  5 TYR A  83       27.18     45.97                                   
REMARK 500  5 LEU A  99      -45.94   -152.72                                   
REMARK 500  5 SER A 103      169.40     62.00                                   
REMARK 500  6 ARG A  12      -94.55     48.64                                   
REMARK 500  6 VAL A  52      -38.79   -131.40                                   
REMARK 500  6 LYS A  81       70.54   -100.61                                   
REMARK 500  6 TYR A  83       27.44     45.85                                   
REMARK 500  6 ALA A  94       46.13    -78.38                                   
REMARK 500  7 GLU A  11      -28.93     58.63                                   
REMARK 500  7 ASN A  13       27.88     46.10                                   
REMARK 500  7 VAL A  52      -31.53   -135.54                                   
REMARK 500  7 LYS A  81       69.52   -119.90                                   
REMARK 500  7 TYR A  83       27.37     46.17                                   
REMARK 500  8 ARG A  12     -136.68     45.35                                   
REMARK 500  8 VAL A  52      -38.56   -131.51                                   
REMARK 500  8 LYS A  81       71.52   -117.91                                   
REMARK 500  8 TYR A  83       29.90     45.82                                   
REMARK 500  9 VAL A  52      -40.30   -132.91                                   
REMARK 500  9 MET A  79       13.38     58.21                                   
REMARK 500  9 LYS A  81       71.42   -113.28                                   
REMARK 500  9 TYR A  83       28.61     47.01                                   
REMARK 500  9 LYS A  97      166.89     60.97                                   
REMARK 500 10 SER A   6       13.53     59.31                                   
REMARK 500 10 ASN A  13       43.09    -75.46                                   
REMARK 500 10 VAL A  52      -37.44   -132.13                                   
REMARK 500 10 MET A  79        9.59     59.61                                   
REMARK 500 10 LYS A  81       70.21   -112.78                                   
REMARK 500 10 TYR A  83       28.77     46.00                                   
REMARK 500 10 HIS A  95       38.86    -89.00                                   
REMARK 500 10 ASN A  96       47.59    -76.41                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      99 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1X5U   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 36018   RELATED DB: BMRB                                 
DBREF  5GVQ A    1   105  PDB    5GVQ     5GVQ             1    105             
SEQRES   1 A  105  GLY SER SER GLY SER SER GLY PRO ILE SER GLU ARG ASN          
SEQRES   2 A  105  GLN ASP ALA THR VAL TYR VAL GLY GLY LEU ASP GLU LYS          
SEQRES   3 A  105  VAL SER GLU PRO LEU LEU TRP GLU LEU PHE LEU GLN ALA          
SEQRES   4 A  105  GLY PRO VAL VAL ASN THR HIS MET PRO LYS ASP ARG VAL          
SEQRES   5 A  105  THR GLY GLN HIS GLN GLY TYR GLY PHE VAL GLU PHE LEU          
SEQRES   6 A  105  SER GLU GLU ASP ALA ASP TYR ALA ILE LYS ILE MET ASP          
SEQRES   7 A  105  MET ILE LYS LEU TYR GLY LYS PRO ILE ARG VAL ASN LYS          
SEQRES   8 A  105  ALA SER ALA HIS ASN LYS ASN LEU SER GLY PRO SER SER          
SEQRES   9 A  105  GLY                                                          
HELIX    1 AA1 GLY A    1  SER A    5  5                                   5    
HELIX    2 AA2 SER A   28  LEU A   37  1                                  10    
HELIX    3 AA3 SER A   66  ASP A   78  1                                  13    
SHEET    1 AA1 4 VAL A  42  HIS A  46  0                                        
SHEET    2 AA1 4 TYR A  59  PHE A  64 -1  O  GLU A  63   N  VAL A  43           
SHEET    3 AA1 4 THR A  17  GLY A  21 -1  N  VAL A  18   O  VAL A  62           
SHEET    4 AA1 4 ARG A  88  LYS A  91 -1  O  ASN A  90   N  TYR A  19           
SHEET    1 AA2 2 LYS A  81  LEU A  82  0                                        
SHEET    2 AA2 2 LYS A  85  PRO A  86 -1  O  LYS A  85   N  LEU A  82           
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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