GenomeNet

Database: PDB
Entry: 5NWM
LinkDB: 5NWM
Original site: 5NWM 
HEADER    SIGNALING PROTEIN                       06-MAY-17   5NWM              
TITLE     INSIGHT INTO THE MOLECULAR RECOGNITION MECHANISM OF THE COACTIVATOR   
TITLE    2 NCOA1 BY STAT6                                                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: NUCLEAR RECEPTOR COACTIVATOR 1;                            
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 257-385;                                      
COMPND   5 SYNONYM: NCOA-1,CLASS E BASIC HELIX-LOOP-HELIX PROTEIN 74,BHLHE74,   
COMPND   6 PROTEIN HIN-2,RIP160,RENAL CARCINOMA ANTIGEN NY-REN-52,STEROID       
COMPND   7 RECEPTOR COACTIVATOR 1,SRC-1;                                        
COMPND   8 EC: 2.3.1.48;                                                        
COMPND   9 ENGINEERED: YES;                                                     
COMPND  10 MUTATION: YES;                                                       
COMPND  11 MOL_ID: 2;                                                           
COMPND  12 MOLECULE: SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION 6;        
COMPND  13 CHAIN: B;                                                            
COMPND  14 FRAGMENT: UNP RESIDUES 783-814;                                      
COMPND  15 SYNONYM: IL-4 STAT;                                                  
COMPND  16 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: NCOA1, BHLHE74, SRC1;                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: STAT6;                                                         
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    NCOA-1, STAT6, PAS-B DOMAIN, TRANSACTIVATION DOMAIN, LXXLL MOTIF,     
KEYWDS   2 SIGNALING PROTEIN                                                    
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    L.RUSSO,S.BECKER,C.GRIESINGER                                         
REVDAT   3   08-MAY-19 5NWM    1       REMARK                                   
REVDAT   2   13-DEC-17 5NWM    1       JRNL                                     
REVDAT   1   06-DEC-17 5NWM    0                                                
JRNL        AUTH   L.RUSSO,K.GILLER,E.PFITZNER,C.GRIESINGER,S.BECKER            
JRNL        TITL   INSIGHT INTO THE MOLECULAR RECOGNITION MECHANISM OF THE      
JRNL        TITL 2 COACTIVATOR NCOA1 BY STAT6.                                  
JRNL        REF    SCI REP                       V.   7 16845 2017              
JRNL        REFN                   ESSN 2045-2322                               
JRNL        PMID   29203888                                                     
JRNL        DOI    10.1038/S41598-017-17088-5                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA                                                
REMARK   3   AUTHORS     : GUNTERT, MUMENTHALER AND WUTHRICH                    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5NWM COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 06-MAY-17.                  
REMARK 100 THE DEPOSITION ID IS D_1200004754.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 309                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 150                                
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 50 MM HEPES, 150 MM SODIUM         
REMARK 210                                   CHLORIDE, 10 % D2O, 1 MM [U-99%    
REMARK 210                                   13C; U-99% 15N] STAT6, 90% H2O/    
REMARK 210                                   10% D2O; 1 MM [U-99% 13C; U-99%    
REMARK 210                                   15N] STAT6, 0.7 MM NCOA1, 50 MM    
REMARK 210                                   HEPES, 150 MM SODIUM CHLORIDE,     
REMARK 210                                   10 % D2O, 90% H2O/10% D2O; 0.7     
REMARK 210                                   MM [U-99% 13C; U-99% 15N] NCOA1,   
REMARK 210                                   1 MM STAT6, 50 MM HEPES, 150 MM    
REMARK 210                                   SODIUM CHLORIDE, 10 % D2O, 90%     
REMARK 210                                   H2O/10% D2O; 1 MM [U-99% 15N]      
REMARK 210                                   STAT6, 0.7 MM NCOA1, 50 MM HEPES,  
REMARK 210                                   150 MM SODIUM CHLORIDE, 10 %       
REMARK 210                                   D2O, 90% H2O/10% D2O; 0.7 MM [U-   
REMARK 210                                   99% 15N] NCOA1, 1 MM STAT6, 50     
REMARK 210                                   MM HEPES, 150 MM SODIUM CHLORIDE,  
REMARK 210                                   10 % D2O, 90% H2O/10% D2O; 1 MM    
REMARK 210                                   [U-99% 15N] STAT6, 50 MM HEPES,    
REMARK 210                                   150 MM SODIUM CHLORIDE, 10 % D2O,  
REMARK 210                                   90% H2O/10% D2O; 1 MM [U-99%       
REMARK 210                                   13C; U-99% 15N] STAT6, 0.7 MM      
REMARK 210                                   NCOA1, 50 MM HEPES, 150 MM         
REMARK 210                                   SODIUM CHLORIDE, 100 % D2O, 100%   
REMARK 210                                   D2O; 0.7 MM [U-99% 13C; U-99%      
REMARK 210                                   15N] NCOA1, 1 MM STAT6, 50 MM      
REMARK 210                                   HEPES, 150 MM SODIUM CHLORIDE,     
REMARK 210                                   100 % D2O, 100% D2O                
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C HSQC     
REMARK 210                                   ALIPHATIC; 3D CBCA(CO)NH; 3D       
REMARK 210                                   HNCA; 3D 1H-15N TOCSY; 3D 1H-15N   
REMARK 210                                   NOESY; 2D 1H-13C HSQC AROMATIC;    
REMARK 210                                   3D HNCO; 3D 1H-13C NOESY           
REMARK 210                                   ALIPHATIC; 3D 1H-13C NOESY         
REMARK 210                                   AROMATIC; 3D HNHA; 3D HCCH-TOCSY;  
REMARK 210                                   3D HNCACB; 3D 1H,13C-EDITED/12C-   
REMARK 210                                   FILTER NOESY                       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 700 MHZ; 800 MHZ; 900     
REMARK 210                                   MHZ                                
REMARK 210  SPECTROMETER MODEL             : AVANCEIII                          
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CYANA, CARA, NMRPIPE, TOPSPIN,     
REMARK 210                                   TALOS, SPARKY                      
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
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 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2090 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11670 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -20.0 KCAL/MOL                        
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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
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 HIS A 255     -173.87     59.96                                   
REMARK 500  1 VAL A 259      -35.92   -175.43                                   
REMARK 500  1 GLU A 260       97.28    -64.81                                   
REMARK 500  1 PRO A 326     -179.96    -69.71                                   
REMARK 500  1 GLU A 367      -71.73    -55.33                                   
REMARK 500  1 PRO A 373       83.79    -69.89                                   
REMARK 500  1 ASP A 376       62.09   -159.87                                   
REMARK 500  1 SER A 379      -53.68    178.37                                   
REMARK 500  1 MET A 381      -34.84    176.34                                   
REMARK 500  1 SER A 382      -60.26   -169.73                                   
REMARK 500  1 ILE A 383       78.67   -176.36                                   
REMARK 500  1 PRO A 384     -174.62    -69.80                                   
REMARK 500  1 GLU B 788        7.88   -161.79                                   
REMARK 500  1 PHE B 791      126.61     64.18                                   
REMARK 500  1 LEU B 794       90.29     51.06                                   
REMARK 500  1 PRO B 797     -167.64    -69.80                                   
REMARK 500  1 GLU B 799      -20.86    163.68                                   
REMARK 500  1 GLU B 808      163.97     63.41                                   
REMARK 500  1 GLN B 810       88.75     53.34                                   
REMARK 500  1 GLU B 812       92.61     62.45                                   
REMARK 500  1 SER B 813      108.30    -56.44                                   
REMARK 500  2 VAL A 259      -69.59     71.57                                   
REMARK 500  2 ALA A 323     -178.97   -172.51                                   
REMARK 500  2 PRO A 352     -176.73    -69.78                                   
REMARK 500  2 PRO A 373       88.29    -69.78                                   
REMARK 500  2 GLN A 374       34.63    -95.65                                   
REMARK 500  2 ASP A 376       89.11     47.58                                   
REMARK 500  2 ASN A 378     -174.85     56.50                                   
REMARK 500  2 SER A 379      168.18    178.44                                   
REMARK 500  2 MET A 381     -178.84     57.23                                   
REMARK 500  2 SER A 382     -178.96     61.77                                   
REMARK 500  2 PRO A 384     -176.21    -69.74                                   
REMARK 500  2 TRP B 785       21.98   -156.83                                   
REMARK 500  2 PRO B 793     -176.52    -69.80                                   
REMARK 500  2 LEU B 795      144.11    -38.46                                   
REMARK 500  2 PRO B 797     -166.41    -69.85                                   
REMARK 500  2 GLU B 799      -22.07    164.91                                   
REMARK 500  2 GLU B 808       99.14    -57.89                                   
REMARK 500  2 GLN B 810      178.46    -57.02                                   
REMARK 500  2 GLU B 812      -60.70   -172.09                                   
REMARK 500  3 PRO A 326     -179.37    -69.68                                   
REMARK 500  3 PRO A 352      -87.71    -69.85                                   
REMARK 500  3 HIS A 368      107.09   -166.56                                   
REMARK 500  3 LEU A 371       55.23     39.51                                   
REMARK 500  3 SER A 372      160.33     62.49                                   
REMARK 500  3 PRO A 373       91.62    -69.72                                   
REMARK 500  3 ASN A 378      167.45     62.69                                   
REMARK 500  3 SER A 379      159.01    178.37                                   
REMARK 500  3 MET A 381      154.95    175.62                                   
REMARK 500  3 ILE A 383      132.19   -171.65                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     363 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 34131   RELATED DB: BMRB                                 
REMARK 900 INSIGHT INTO THE MOLECULAR RECOGNITION MECHANISM OF THE COACTIVATOR  
REMARK 900 NCOA1 BY STAT6                                                       
DBREF  5NWM A  257   385  UNP    Q15788   NCOA1_HUMAN    257    385             
DBREF  5NWM B  783   814  UNP    P42226   STAT6_HUMAN    783    814             
SEQADV 5NWM GLY A  254  UNP  Q15788              EXPRESSION TAG                 
SEQADV 5NWM HIS A  255  UNP  Q15788              EXPRESSION TAG                 
SEQADV 5NWM MET A  256  UNP  Q15788              EXPRESSION TAG                 
SEQADV 5NWM ARG A  343  UNP  Q15788    LYS   343 ENGINEERED MUTATION            
SEQRES   1 A  132  GLY HIS MET THR GLY VAL GLU SER PHE MET THR LYS GLN          
SEQRES   2 A  132  ASP THR THR GLY LYS ILE ILE SER ILE ASP THR SER SER          
SEQRES   3 A  132  LEU ARG ALA ALA GLY ARG THR GLY TRP GLU ASP LEU VAL          
SEQRES   4 A  132  ARG LYS CYS ILE TYR ALA PHE PHE GLN PRO GLN GLY ARG          
SEQRES   5 A  132  GLU PRO SER TYR ALA ARG GLN LEU PHE GLN GLU VAL MET          
SEQRES   6 A  132  THR ARG GLY THR ALA SER SER PRO SER TYR ARG PHE ILE          
SEQRES   7 A  132  LEU ASN ASP GLY THR MET LEU SER ALA HIS THR ARG CYS          
SEQRES   8 A  132  LYS LEU CYS TYR PRO GLN SER PRO ASP MET GLN PRO PHE          
SEQRES   9 A  132  ILE MET GLY ILE HIS ILE ILE ASP ARG GLU HIS SER GLY          
SEQRES  10 A  132  LEU SER PRO GLN ASP ASP THR ASN SER GLY MET SER ILE          
SEQRES  11 A  132  PRO ARG                                                      
SEQRES   1 B   32  GLY THR TRP ILE GLY GLU ASP ILE PHE PRO PRO LEU LEU          
SEQRES   2 B   32  PRO PRO THR GLU GLN ASP LEU THR LYS LEU LEU LEU GLU          
SEQRES   3 B   32  GLY GLN GLY GLU SER GLY                                      
HELIX    1 AA1 THR A  277  GLY A  284  1                                   8    
HELIX    2 AA2 GLY A  287  PHE A  300  1                                  14    
HELIX    3 AA3 SER A  308  ARG A  320  1                                  13    
HELIX    4 AA4 TRP B  785  ILE B  790  1                                   6    
HELIX    5 AA5 ASP B  801  GLU B  808  1                                   8    
SHEET    1 AA1 5 ILE A 272  ASP A 276  0                                        
SHEET    2 AA1 5 SER A 261  GLN A 266 -1  N  LYS A 265   O  ILE A 273           
SHEET    3 AA1 5 PHE A 357  ASP A 365 -1  O  HIS A 362   N  PHE A 262           
SHEET    4 AA1 5 MET A 337  CYS A 347 -1  N  CYS A 347   O  PHE A 357           
SHEET    5 AA1 5 THR A 322  ILE A 331 -1  N  SER A 325   O  THR A 342           
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                                                                             
DBGET integrated database retrieval system