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Database: PDB
Entry: 3WU1
LinkDB: 3WU1
Original site: 3WU1 
HEADER    TRANSCRIPTION/DNA                       21-APR-14   3WU1              
TITLE     CRYSTAL STRUCTURE OF THE ETS1-RUNX1-DNA TERNARY COMPLEX               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RUNT-RELATED TRANSCRIPTION FACTOR 1;                       
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 55-177;                                       
COMPND   5 SYNONYM: ACUTE MYELOID LEUKEMIA 1 PROTEIN, CORE-BINDING FACTOR       
COMPND   6 SUBUNIT ALPHA-2, CBF-ALPHA-2, ONCOGENE AML-1, POLYOMAVIRUS ENHANCER- 
COMPND   7 BINDING PROTEIN 2 ALPHA B SUBUNIT, PEA2-ALPHA B, PEBP2-ALPHA B, SL3-3
COMPND   8 ENHANCER FACTOR 1 ALPHA B SUBUNIT, SL3/AKV CORE-BINDING FACTOR ALPHA 
COMPND   9 B SUBUNIT;                                                           
COMPND  10 ENGINEERED: YES;                                                     
COMPND  11 MOL_ID: 2;                                                           
COMPND  12 MOLECULE: PROTEIN C-ETS-1;                                           
COMPND  13 CHAIN: B;                                                            
COMPND  14 FRAGMENT: UNP RESIDUES 333-441;                                      
COMPND  15 SYNONYM: P54;                                                        
COMPND  16 ENGINEERED: YES;                                                     
COMPND  17 MOL_ID: 3;                                                           
COMPND  18 MOLECULE: DNA (5'-D(*GP*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-
COMPND  19 3');                                                                 
COMPND  20 CHAIN: C;                                                            
COMPND  21 ENGINEERED: YES;                                                     
COMPND  22 MOL_ID: 4;                                                           
COMPND  23 MOLECULE: DNA (5'-D(*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-
COMPND  24 3');                                                                 
COMPND  25 CHAIN: D;                                                            
COMPND  26 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: AML1, CBFA2, PEBP2AB, RUNX1;                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET23A;                                   
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  13 ORGANISM_COMMON: HUMAN;                                              
SOURCE  14 ORGANISM_TAXID: 9606;                                                
SOURCE  15 GENE: ETS1, EWSR2;                                                   
SOURCE  16 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  17 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  18 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  19 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  20 EXPRESSION_SYSTEM_PLASMID: PET23A;                                   
SOURCE  21 MOL_ID: 3;                                                           
SOURCE  22 SYNTHETIC: YES;                                                      
SOURCE  23 MOL_ID: 4;                                                           
SOURCE  24 SYNTHETIC: YES                                                       
KEYWDS    PROTEIN-DNA COMPLEX, DNA-BINDING, METHYLATION, NUCLEUS,               
KEYWDS   2 PHOSPHOPROTEIN, TRANSCRIPTION REGULATION, ISOPEPTIDE BOND, PROTO-    
KEYWDS   3 ONCOGENE, TRANSCRIPTION-DNA COMPLEX                                  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    T.H.TAHIROV,K.OGATA                                                   
REVDAT   2   22-NOV-17 3WU1    1       REMARK                                   
REVDAT   1   20-AUG-14 3WU1    0                                                
JRNL        AUTH   M.SHIINA,K.HAMADA,T.INOUE-BUNGO,M.SHIMAMURA,A.UCHIYAMA,      
JRNL        AUTH 2 S.BABA,K.SATO,M.YAMAMOTO,K.OGATA                             
JRNL        TITL   A NOVEL ALLOSTERIC MECHANISM ON PROTEIN-DNA INTERACTIONS     
JRNL        TITL 2 UNDERLYING THE PHOSPHORYLATION-DEPENDENT REGULATION OF ETS1  
JRNL        TITL 3 TARGET GENE EXPRESSIONS                                      
JRNL        REF    J.MOL.BIOL.                                2014              
JRNL        REFN                   ESSN 1089-8638                               
JRNL        PMID   25083921                                                     
JRNL        DOI    10.1016/J.JMB.2014.07.020                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.40 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 : NULL                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 29.78                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 86.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 23807                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL                            
REMARK   3   R VALUE            (WORKING SET) : 0.213                           
REMARK   3   FREE R VALUE                     : 0.249                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.200                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1158                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
REMARK   3   BIN FREE R VALUE                    : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1836                                    
REMARK   3   NUCLEIC ACID ATOMS       : 650                                     
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 138                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 46.23                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -1.39100                                             
REMARK   3    B22 (A**2) : 1.53000                                              
REMARK   3    B33 (A**2) : -0.13900                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.006                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.330                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   KSOL        : NULL                                                 
REMARK   3   BSOL        : 38.09                                                
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   : NULL                                           
REMARK   3  TOPOLOGY FILE  2   : NULL                                           
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3  TOPOLOGY FILE  4   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3WU1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 22-MAY-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000096791.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 25-MAY-01                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SPRING-8                           
REMARK 200  BEAMLINE                       : BL45PX                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.02                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU JUPITER 210                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 23925                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.400                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 87.4                               
REMARK 200  DATA REDUNDANCY                : 4.900                              
REMARK 200  R MERGE                    (I) : 0.04900                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 13.1000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.44                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 65.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.70                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.35200                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: PDB ENTRY 1IO4, 1GVJ                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 74.11                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.75                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 11% PEG MME 550, 0.1M KCL, 0.015M        
REMARK 280  MGCL2, 0.05M TRIS, PH 7.5, VAPOR DIFFUSION, TEMPERATURE 298K        
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -X,Y,-Z+1/2                                             
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z                                           
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   X+1/2,-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        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       47.88400            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       47.88400            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       51.13900            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       70.45100            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       51.13900            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       70.45100            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       47.88400            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       51.13900            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       70.45100            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       47.88400            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       51.13900            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       70.45100            
REMARK 290   SMTRY3   8  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: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4810 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 16230 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -31.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D                            
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     ASP B   438                                                      
REMARK 465     ALA B   439                                                      
REMARK 465     ASP B   440                                                      
REMARK 465     GLU B   441                                                      
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     DT D 108   O4' -  C1' -  N1  ANGL. DEV. =   2.0 DEGREES          
REMARK 500     DG D 109   O4' -  C1' -  N9  ANGL. DEV. =   2.3 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    ALA A  56      -72.68   -134.60                                   
REMARK 500    PRO A  59      -77.77    -27.93                                   
REMARK 500    ASP A  66        7.56    -67.95                                   
REMARK 500    GLN A 127       -0.35     73.08                                   
REMARK 500    ASP A 133       69.15     26.79                                   
REMARK 500    ARG A 164       54.58     34.13                                   
REMARK 500    ASN B 380       64.76     64.49                                   
REMARK 500    LYS B 436      -74.76    -51.29                                   
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 C   5         0.06    SIDE CHAIN                              
REMARK 500     DC D 101         0.08    SIDE CHAIN                              
REMARK 500     DG D 109         0.05    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3WTS   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3WTT   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3WTU   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3WTV   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3WTW   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3WTX   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3WTY   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3WTZ   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3WU0   RELATED DB: PDB                                   
DBREF  3WU1 A   55   177  UNP    Q03347   RUNX1_MOUSE     55    177             
DBREF  3WU1 B  333   441  UNP    P14921   ETS1_HUMAN     333    441             
DBREF  3WU1 C    1    16  PDB    3WU1     3WU1             1     16             
DBREF  3WU1 D  101   116  PDB    3WU1     3WU1           101    116             
SEQRES   1 A  123  LEU ALA ASP HIS PRO GLY GLU LEU VAL ARG THR ASP SER          
SEQRES   2 A  123  PRO ASN PHE LEU CYS SER VAL LEU PRO THR HIS TRP ARG          
SEQRES   3 A  123  CYS ASN LYS THR LEU PRO ILE ALA PHE LYS VAL VAL ALA          
SEQRES   4 A  123  LEU GLY ASP VAL PRO ASP GLY THR LEU VAL THR VAL MET          
SEQRES   5 A  123  ALA GLY ASN ASP GLU ASN TYR SER ALA GLU LEU ARG ASN          
SEQRES   6 A  123  ALA THR ALA ALA MET LYS ASN GLN VAL ALA ARG PHE ASN          
SEQRES   7 A  123  ASP LEU ARG PHE VAL GLY ARG SER GLY ARG GLY LYS SER          
SEQRES   8 A  123  PHE THR LEU THR ILE THR VAL PHE THR ASN PRO PRO GLN          
SEQRES   9 A  123  VAL ALA THR TYR HIS ARG ALA ILE LYS ILE THR VAL ASP          
SEQRES  10 A  123  GLY PRO ARG GLU PRO ARG                                      
SEQRES   1 B  109  GLY PRO ILE GLN LEU TRP GLN PHE LEU LEU GLU LEU LEU          
SEQRES   2 B  109  THR ASP LYS SER CYS GLN SER PHE ILE SER TRP THR GLY          
SEQRES   3 B  109  ASP GLY TRP GLU PHE LYS LEU SER ASP PRO ASP GLU VAL          
SEQRES   4 B  109  ALA ARG ARG TRP GLY LYS ARG LYS ASN LYS PRO LYS MET          
SEQRES   5 B  109  ASN TYR GLU LYS LEU SER ARG GLY LEU ARG TYR TYR TYR          
SEQRES   6 B  109  ASP LYS ASN ILE ILE HIS LYS THR ALA GLY LYS ARG TYR          
SEQRES   7 B  109  VAL TYR ARG PHE VAL CYS ASP LEU GLN SER LEU LEU GLY          
SEQRES   8 B  109  TYR THR PRO GLU GLU LEU HIS ALA MET LEU ASP VAL LYS          
SEQRES   9 B  109  PRO ASP ALA ASP GLU                                          
SEQRES   1 C   16   DG  DG  DA  DA  DG  DC  DC  DA  DC  DA  DT  DC  DC          
SEQRES   2 C   16   DT  DC  DT                                                  
SEQRES   1 D   16   DC  DA  DG  DA  DG  DG  DA  DT  DG  DT  DG  DG  DC          
SEQRES   2 D   16   DT  DT  DC                                                  
FORMUL   5  HOH   *138(H2 O)                                                    
HELIX    1   1 HIS A   58  LEU A   62  5                                   5    
HELIX    2   2 GLN B  336  THR B  346  1                                  11    
HELIX    3   3 ASP B  347  PHE B  353  5                                   7    
HELIX    4   4 ASP B  367  ASN B  380  1                                  14    
HELIX    5   5 ASN B  385  ASN B  400  1                                  16    
HELIX    6   6 ASP B  417  GLY B  423  1                                   7    
HELIX    7   7 THR B  425  LEU B  433  1                                   9    
SHEET    1   A 9 VAL A  63  ARG A  64  0                                        
SHEET    2   A 9 PHE A  70  CYS A  72 -1  O  CYS A  72   N  VAL A  63           
SHEET    3   A 9 LYS A  90  ALA A  93 -1  O  VAL A  92   N  LEU A  71           
SHEET    4   A 9 VAL A 128  ARG A 130 -1  O  ALA A 129   N  VAL A  91           
SHEET    5   A 9 THR A 121  LYS A 125 -1  N  LYS A 125   O  VAL A 128           
SHEET    6   A 9 LEU A 102  MET A 106 -1  N  VAL A 103   O  ALA A 122           
SHEET    7   A 9 PHE A 146  VAL A 152 -1  O  THR A 149   N  MET A 106           
SHEET    8   A 9 GLN A 158  THR A 169 -1  O  GLN A 158   N  VAL A 152           
SHEET    9   A 9 HIS A  78  ARG A  80  1  N  TRP A  79   O  LYS A 167           
SHEET    1   B 2 LEU A 117  ARG A 118  0                                        
SHEET    2   B 2 ARG A 135  PHE A 136 -1  O  ARG A 135   N  ARG A 118           
SHEET    1   C 4 SER B 355  TRP B 356  0                                        
SHEET    2   C 4 GLU B 362  LYS B 364 -1  O  LYS B 364   N  SER B 355           
SHEET    3   C 4 VAL B 411  PHE B 414 -1  O  TYR B 412   N  PHE B 363           
SHEET    4   C 4 ILE B 402  LYS B 404 -1  N  HIS B 403   O  ARG B 413           
CISPEP   1 ASN A  155    PRO A  156          0        -0.03                     
CRYST1  102.278  140.902   95.768  90.00  90.00  90.00 C 2 2 21      8          
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      0.009777  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.007097  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010442        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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