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Database: PDB
Entry: 3RI4
LinkDB: 3RI4
Original site: 3RI4 
HEADER    TRANSCRIPTION/DNA                       12-APR-11   3RI4              
TITLE     ETS1 COOPERATIVE BINDING TO WIDELY SEPARATED SITES ON PROMOTER DNA    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN C-ETS-1;                                           
COMPND   3 CHAIN: A, D;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 280-441;                                      
COMPND   5 SYNONYM: P54;                                                        
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: TCR ALPHA PROMOTER DNA;                                    
COMPND   9 CHAIN: B, E;                                                         
COMPND  10 ENGINEERED: YES;                                                     
COMPND  11 MOL_ID: 3;                                                           
COMPND  12 MOLECULE: TCR ALPHA PROMOTER DNA;                                    
COMPND  13 CHAIN: C, F;                                                         
COMPND  14 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: ETS1, EWSR2;                                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PETS280-441;                              
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 SYNTHETIC: YES;                                                      
SOURCE  13 MOL_ID: 3;                                                           
SOURCE  14 SYNTHETIC: YES                                                       
KEYWDS    TRANSCRIPTION, T-CELL RECEPTOR ALPHA, DNA BINDING, AUTOINHIBITION,    
KEYWDS   2 ETS DOMAIN, TRANSCRIPTION FACTOR, DNA, RUNX2, RUNX1, TRANSCRIPTION-  
KEYWDS   3 DNA COMPLEX                                                          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    N.D.BABAYEVA,K.MINO,T.H.TAHIROV                                       
REVDAT   2   16-DEC-15 3RI4    1       AUTHOR                                   
REVDAT   1   04-APR-12 3RI4    0                                                
JRNL        AUTH   N.D.BABAYEVA,O.I.BARANOVSKAYA,T.H.TAHIROV                    
JRNL        TITL   STRUCTURAL BASIS OF ETS1 COOPERATIVE BINDING TO WIDELY       
JRNL        TITL 2 SEPARATED SITES ON PROMOTER DNA.                             
JRNL        REF    PLOS ONE                      V.   7 33698 2012              
JRNL        REFN                   ESSN 1932-6203                               
JRNL        PMID   22432043                                                     
JRNL        DOI    10.1371/JOURNAL.PONE.0033698                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 3.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 29.84                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 1515668.240                    
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 94.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 8427                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE            (WORKING SET) : 0.230                           
REMARK   3   FREE R VALUE                     : 0.284                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.300                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 446                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.013                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 6                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 3.10                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 3.29                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 89.40                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 1243                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3420                       
REMARK   3   BIN FREE R VALUE                    : 0.3740                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 5.30                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 70                           
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.045                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2234                                    
REMARK   3   NUCLEIC ACID ATOMS       : 1300                                    
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 33                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 47.90                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -4.97000                                             
REMARK   3    B22 (A**2) : 7.59000                                              
REMARK   3    B33 (A**2) : -2.62000                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 3.88000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.40                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.59                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.53                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.59                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.008                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.300                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 20.800                          
REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.160                           
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 3.720 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 5.900 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 5.220 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 7.660 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.28                                                 
REMARK   3   BSOL        : 27.18                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : DNA-RNA_REP.PARAM                              
REMARK   3  PARAMETER FILE  3  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  4  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : DNA-RNA.TOP                                    
REMARK   3  TOPOLOGY FILE  3   : WATER.TOP                                      
REMARK   3  TOPOLOGY FILE  4   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3RI4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-APR-11.                  
REMARK 100 THE RCSB ID CODE IS RCSB064958.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 18-JUL-08                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 24-ID-C                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9793                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9369                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.000                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -1.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 94.7                               
REMARK 200  DATA REDUNDANCY                : 2.600                              
REMARK 200  R MERGE                    (I) : 0.08000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 12.0000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.00                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.11                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 87.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 1.90                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.36300                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.200                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: CNS                                                   
REMARK 200 STARTING MODEL: PDB ENTRY 1GVJ                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 43.08                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.16                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 200 MM AMMONIUM CHLORIDE, 10 MM          
REMARK 280  CALCIUM CHLORIDE, 50 MM TRIS-HCL BUFFER (PH 8.5), 18.5% V/V PEG     
REMARK 280  MME 2000, 3% V/V GLYCEROL, SITTING DROP VAPOR DIFFUSION AND         
REMARK 280  MACROSEEDING, TEMPERATURE 295K                                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       49.06200            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
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: HEXAMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 8350 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 22350 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -63.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, D, E, F, B, C                      
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. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A   279                                                      
REMARK 465     VAL A   280                                                      
REMARK 465     PRO A   281                                                      
REMARK 465     SER A   282                                                      
REMARK 465     TYR A   283                                                      
REMARK 465     ASP A   284                                                      
REMARK 465     SER A   285                                                      
REMARK 465     PHE A   286                                                      
REMARK 465     ASP A   287                                                      
REMARK 465     TYR A   288                                                      
REMARK 465     GLU A   289                                                      
REMARK 465     ASP A   290                                                      
REMARK 465     TYR A   291                                                      
REMARK 465     PRO A   292                                                      
REMARK 465     ALA A   293                                                      
REMARK 465     ALA A   294                                                      
REMARK 465     LEU A   295                                                      
REMARK 465     PRO A   296                                                      
REMARK 465     ASN A   297                                                      
REMARK 465     HIS A   298                                                      
REMARK 465     LYS A   299                                                      
REMARK 465     PRO A   300                                                      
REMARK 465     LYS A   301                                                      
REMARK 465     ASP A   438                                                      
REMARK 465     ALA A   439                                                      
REMARK 465     ASP A   440                                                      
REMARK 465     GLU A   441                                                      
REMARK 465     MET D   279                                                      
REMARK 465     VAL D   280                                                      
REMARK 465     PRO D   281                                                      
REMARK 465     SER D   282                                                      
REMARK 465     TYR D   283                                                      
REMARK 465     ASP D   284                                                      
REMARK 465     SER D   285                                                      
REMARK 465     PHE D   286                                                      
REMARK 465     ASP D   287                                                      
REMARK 465     TYR D   288                                                      
REMARK 465     GLU D   289                                                      
REMARK 465     ASP D   290                                                      
REMARK 465     TYR D   291                                                      
REMARK 465     PRO D   292                                                      
REMARK 465     ALA D   293                                                      
REMARK 465     ALA D   294                                                      
REMARK 465     LEU D   295                                                      
REMARK 465     PRO D   296                                                      
REMARK 465     ASN D   297                                                      
REMARK 465     HIS D   298                                                      
REMARK 465     LYS D   299                                                      
REMARK 465     PRO D   300                                                      
REMARK 465     LYS D   301                                                      
REMARK 465     ASP D   438                                                      
REMARK 465     ALA D   439                                                      
REMARK 465     ASP D   440                                                      
REMARK 465     GLU D   441                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
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   N    ALA A   323     OE2  GLU A   343              2.16            
REMARK 500   O4'   DG B     1     O    HOH B   103              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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     DC E 209   O4' -  C1' -  N1  ANGL. DEV. =   2.1 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    ASN A 380       67.66     60.87                                   
REMARK 500    LYS A 381       73.76   -153.49                                   
REMARK 500    LYS A 399       28.26    -79.95                                   
REMARK 500    ASN A 400       56.43     21.49                                   
REMARK 500    CYS A 416     -174.75    -63.56                                   
REMARK 500    LYS A 436      -77.56    -57.30                                   
REMARK 500    LYS D 318       43.28   -140.60                                   
REMARK 500    ASN D 380       73.07     58.52                                   
REMARK 500    LYS D 381       80.99   -157.85                                   
REMARK 500    ASN D 400       67.51     25.46                                   
REMARK 500    CYS D 416     -176.85    -66.51                                   
REMARK 500    LYS D 436      -82.53    -58.65                                   
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     DG B   1         0.08    SIDE CHAIN                              
REMARK 500     DG C 103         0.07    SIDE CHAIN                              
REMARK 500     DG E 201         0.06    SIDE CHAIN                              
REMARK 500     DG F 303         0.05    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3MFK   RELATED DB: PDB                                   
REMARK 900 ETS1 COMPLEX WITH STROMELYSIN-1 PROMOTER DNA                         
REMARK 900 RELATED ID: 1GVJ   RELATED DB: PDB                                   
REMARK 900 ETS-1 DNA BINDING AND AUTOINHIBITORY DOMAINS                         
DBREF  3RI4 A  280   441  UNP    P14921   ETS1_HUMAN     280    441             
DBREF  3RI4 D  280   441  UNP    P14921   ETS1_HUMAN     280    441             
SEQADV 3RI4 MET A  279  UNP  P14921              INITIATING METHIONINE          
SEQADV 3RI4 TYR A  288  UNP  P14921    SER   288 CONFLICT                       
SEQADV 3RI4 MET D  279  UNP  P14921              INITIATING METHIONINE          
SEQADV 3RI4 TYR D  288  UNP  P14921    SER   288 CONFLICT                       
SEQRES   1 A  163  MET VAL PRO SER TYR ASP SER PHE ASP TYR GLU ASP TYR          
SEQRES   2 A  163  PRO ALA ALA LEU PRO ASN HIS LYS PRO LYS GLY THR PHE          
SEQRES   3 A  163  LYS ASP TYR VAL ARG ASP ARG ALA ASP LEU ASN LYS ASP          
SEQRES   4 A  163  LYS PRO VAL ILE PRO ALA ALA ALA LEU ALA GLY TYR THR          
SEQRES   5 A  163  GLY SER GLY PRO ILE GLN LEU TRP GLN PHE LEU LEU GLU          
SEQRES   6 A  163  LEU LEU THR ASP LYS SER CYS GLN SER PHE ILE SER TRP          
SEQRES   7 A  163  THR GLY ASP GLY TRP GLU PHE LYS LEU SER ASP PRO ASP          
SEQRES   8 A  163  GLU VAL ALA ARG ARG TRP GLY LYS ARG LYS ASN LYS PRO          
SEQRES   9 A  163  LYS MET ASN TYR GLU LYS LEU SER ARG GLY LEU ARG TYR          
SEQRES  10 A  163  TYR TYR ASP LYS ASN ILE ILE HIS LYS THR ALA GLY LYS          
SEQRES  11 A  163  ARG TYR VAL TYR ARG PHE VAL CYS ASP LEU GLN SER LEU          
SEQRES  12 A  163  LEU GLY TYR THR PRO GLU GLU LEU HIS ALA MET LEU ASP          
SEQRES  13 A  163  VAL LYS PRO ASP ALA ASP GLU                                  
SEQRES   1 B   16   DG  DG  DA  DA  DG  DC  DC  DA  DC  DA  DT  DC  DC          
SEQRES   2 B   16   DT  DC  DT                                                  
SEQRES   1 C   16   DC  DA  DG  DA  DG  DG  DA  DT  DG  DT  DG  DG  DC          
SEQRES   2 C   16   DT  DT  DC                                                  
SEQRES   1 D  163  MET VAL PRO SER TYR ASP SER PHE ASP TYR GLU ASP TYR          
SEQRES   2 D  163  PRO ALA ALA LEU PRO ASN HIS LYS PRO LYS GLY THR PHE          
SEQRES   3 D  163  LYS ASP TYR VAL ARG ASP ARG ALA ASP LEU ASN LYS ASP          
SEQRES   4 D  163  LYS PRO VAL ILE PRO ALA ALA ALA LEU ALA GLY TYR THR          
SEQRES   5 D  163  GLY SER GLY PRO ILE GLN LEU TRP GLN PHE LEU LEU GLU          
SEQRES   6 D  163  LEU LEU THR ASP LYS SER CYS GLN SER PHE ILE SER TRP          
SEQRES   7 D  163  THR GLY ASP GLY TRP GLU PHE LYS LEU SER ASP PRO ASP          
SEQRES   8 D  163  GLU VAL ALA ARG ARG TRP GLY LYS ARG LYS ASN LYS PRO          
SEQRES   9 D  163  LYS MET ASN TYR GLU LYS LEU SER ARG GLY LEU ARG TYR          
SEQRES  10 D  163  TYR TYR ASP LYS ASN ILE ILE HIS LYS THR ALA GLY LYS          
SEQRES  11 D  163  ARG TYR VAL TYR ARG PHE VAL CYS ASP LEU GLN SER LEU          
SEQRES  12 D  163  LEU GLY TYR THR PRO GLU GLU LEU HIS ALA MET LEU ASP          
SEQRES  13 D  163  VAL LYS PRO ASP ALA ASP GLU                                  
SEQRES   1 E   16   DG  DG  DA  DA  DG  DC  DC  DA  DC  DA  DT  DC  DC          
SEQRES   2 E   16   DT  DC  DT                                                  
SEQRES   1 F   16   DC  DA  DG  DA  DG  DG  DA  DT  DG  DT  DG  DG  DC          
SEQRES   2 F   16   DT  DT  DC                                                  
FORMUL   7  HOH   *33(H2 O)                                                     
HELIX    1   1 THR A  303  ASP A  313  1                                  11    
HELIX    2   2 PRO A  322  GLY A  331  1                                  10    
HELIX    3   3 GLN A  336  ASP A  347  1                                  12    
HELIX    4   4 LYS A  348  GLN A  351  5                                   4    
HELIX    5   5 ASP A  367  LYS A  379  1                                  13    
HELIX    6   6 ASN A  385  TYR A  397  1                                  13    
HELIX    7   7 ASP A  417  GLY A  423  1                                   7    
HELIX    8   8 THR A  425  LEU A  433  1                                   9    
HELIX    9   9 THR D  303  ASP D  313  1                                  11    
HELIX   10  10 PRO D  322  GLY D  331  1                                  10    
HELIX   11  11 GLN D  336  LEU D  345  1                                  10    
HELIX   12  12 THR D  346  GLN D  351  5                                   6    
HELIX   13  13 ASP D  367  LYS D  379  1                                  13    
HELIX   14  14 ASN D  385  TYR D  397  1                                  13    
HELIX   15  15 ASP D  417  GLY D  423  1                                   7    
HELIX   16  16 THR D  425  LEU D  433  1                                   9    
SHEET    1   A 4 SER A 355  TRP A 356  0                                        
SHEET    2   A 4 GLU A 362  LYS A 364 -1  O  LYS A 364   N  SER A 355           
SHEET    3   A 4 VAL A 411  PHE A 414 -1  O  TYR A 412   N  PHE A 363           
SHEET    4   A 4 ILE A 402  LYS A 404 -1  N  HIS A 403   O  ARG A 413           
SHEET    1   B 4 SER D 355  TRP D 356  0                                        
SHEET    2   B 4 GLU D 362  LYS D 364 -1  O  LYS D 364   N  SER D 355           
SHEET    3   B 4 VAL D 411  PHE D 414 -1  O  TYR D 412   N  PHE D 363           
SHEET    4   B 4 ILE D 402  LYS D 404 -1  N  HIS D 403   O  ARG D 413           
CRYST1   50.177   98.124   53.577  90.00 109.67  90.00 P 1 21 1      4          
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      0.019929  0.000000  0.007123        0.00000                         
SCALE2      0.000000  0.010191  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.019821        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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