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Database: PDB
Entry: 1MDM
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HEADER    TRANSCRIPTION/DNA                       07-AUG-02   1MDM              
TITLE     INHIBITED FRAGMENT OF ETS-1 AND PAIRED DOMAIN OF PAX5 BOUND           
TITLE    2 TO DNA                                                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PAX5/ETS BINDING SITE ON THE MB-1 PROMOTER;                
COMPND   3 CHAIN: C;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: PAX5/ETS BINDING SITE ON THE MB-1 PROMOTER;                
COMPND   7 CHAIN: D;                                                            
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 3;                                                           
COMPND  10 MOLECULE: PAIRED BOX PROTEIN PAX-5;                                  
COMPND  11 CHAIN: A;                                                            
COMPND  12 FRAGMENT: PAIRED DNA-BINDING DOMAIN, RESIDUES 1-149;                 
COMPND  13 SYNONYM: B-CELL SPECIFIC TRANSCRIPTION FACTOR, BSAP;                 
COMPND  14 ENGINEERED: YES;                                                     
COMPND  15 MOL_ID: 4;                                                           
COMPND  16 MOLECULE: C-ETS-1 PROTEIN;                                           
COMPND  17 CHAIN: B;                                                            
COMPND  18 FRAGMENT: INHIBITED ETS DNA-BINDING DOMAIN, RESIDUES 280-            
COMPND  19 440;                                                                 
COMPND  20 SYNONYM: P54;                                                        
COMPND  21 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: SYNTHESISED BY THE PHOSPHORAMIDITE METHOD;            
SOURCE   4 MOL_ID: 2;                                                           
SOURCE   5 SYNTHETIC: YES;                                                      
SOURCE   6 OTHER_DETAILS: SYNTHESISED BY THE PHOSPHORAMIDITE METHOD;            
SOURCE   7 MOL_ID: 3;                                                           
SOURCE   8 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   9 ORGANISM_COMMON: HUMAN;                                              
SOURCE  10 ORGANISM_TAXID: 9606;                                                
SOURCE  11 GENE: PAX5;                                                          
SOURCE  12 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  13 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  14 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  15 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  16 EXPRESSION_SYSTEM_PLASMID: PET11A;                                   
SOURCE  17 MOL_ID: 4;                                                           
SOURCE  18 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE  19 ORGANISM_COMMON: HOUSE MOUSE;                                        
SOURCE  20 ORGANISM_TAXID: 10090;                                               
SOURCE  21 GENE: ETS-1;                                                         
SOURCE  22 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  23 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  24 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  25 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  26 EXPRESSION_SYSTEM_PLASMID: PET11A                                    
KEYWDS    TRANSCRIPTION FACTOR, TERNARY COMPLEX, X-RAY DIFFRACTION,             
KEYWDS   2 AUTOINHIBITION, ETS DOMAIN, PAIRED DOMAIN,                           
KEYWDS   3 TRANSCRIPTION/DNA COMPLEX                                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    C.W.GARVIE,M.A.PUFALL,B.J.GRAVES,C.WOLBERGER                          
REVDAT   2   24-FEB-09 1MDM    1       VERSN                                    
REVDAT   1   11-DEC-02 1MDM    0                                                
JRNL        AUTH   C.W.GARVIE,M.A.PUFALL,B.J.GRAVES,C.WOLBERGER                 
JRNL        TITL   STRUCTURAL ANALYSIS OF THE AUTOINHIBITION OF ETS-1           
JRNL        TITL 2 AND ITS ROLE IN PROTEIN PARTNERSHIPS                         
JRNL        REF    J.BIOL.CHEM.                  V. 277 45529 2002              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   12221090                                                     
JRNL        DOI    10.1074/JBC.M206327200                                       
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.0                                              
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) : 2.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 32.03                          
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)   (%) : 87.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 13354                          
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) : 0.259                           
REMARK   3   FREE R VALUE                     : 0.310                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.300                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 1371                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.008                           
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) : 2.80                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.98                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 59.40                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 1330                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.4310                       
REMARK   3   BIN FREE R VALUE                    : 0.4330                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 11.00                        
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 164                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.034                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1994                                    
REMARK   3   NUCLEIC ACID ATOMS       : 1060                                    
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 0                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 84.60                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 73.20                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 11.71000                                             
REMARK   3    B22 (A**2) : -12.07000                                            
REMARK   3    B33 (A**2) : 0.36000                                              
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) : 0.45                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.46                            
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) : 0.56                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.009                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.40                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 20.20                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.22                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : GROUP                                     
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 : FLAT MODEL                                           
REMARK   3   KSOL        : 0.28                                                 
REMARK   3   BSOL        : 21.83                                                
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  : ION.PARAM                                      
REMARK   3  PARAMETER FILE  5  : 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   : ION.TOP                                        
REMARK   3  TOPOLOGY FILE  5   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE SIDE CHAINS FOR THE REGION 88-        
REMARK   3  141 OF PAX5 ARE INCLUDED IN THE MODEL DESPITE A LACK OF             
REMARK   3  ELECTRON DENSITY TO UNIQUELY DEFINE THEIR LOCATION. THE POOR        
REMARK   3  DEFINITION OF THE AMINO ACID SIDECHAINS IN THIS REGION OF PAX5      
REMARK   3  REFLECTS THE LOSS OF CONTACTS TO THE SUGAR-PHOSPHATE BACKBONE,      
REMARK   3  DUE TO THE LESS THAN OPTIMAL LENGTH OF THE DNA SEQUENCE USED.       
REMARK   3  THIS MAY EXPLAIN THE HIGH B-FACTORS OBTAINED OVERALL FOR THE        
REMARK   3  STRUCTURE. THE ELECTRON DENSITY FOR THE SIDE CHAINS OF              
REMARK   3  RESIDUES IN THE REGION BETWEEN RESIDUES 309-318 IN ETS-1 WAS        
REMARK   3  POORLY DEFINED AND ONLY THE SIDE CHAINS FOR ARG309, ASP310 AND      
REMARK   3  LEU314 COULD BE BUILT.                                              
REMARK   4                                                                      
REMARK   4 1MDM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-AUG-02.                  
REMARK 100 THE RCSB ID CODE IS RCSB016836.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 13-MAR-01                          
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 5.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU RU200                       
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : GRAPHITE                           
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS IV                    
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : CCP4 (SCALA)                       
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 13405                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.800                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 40.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.500                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 87.8                               
REMARK 200  DATA REDUNDANCY                : 3.100                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.06000                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 9.3000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.95                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 58.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.30                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.11600                            
REMARK 200  R SYM FOR SHELL            (I) : 0.11600                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: AMORE                                                 
REMARK 200 STARTING MODEL: PDB ID 1K78                                          
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 56.73                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.84                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 200MM AMMONIUM ACETATE, 10%              
REMARK 280  PEG4000, 100MM ACETATE BUFFER, PH 5.0, VAPOR DIFFUSION,             
REMARK 280  HANGING DROP, TEMPERATURE 298K                                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X+1/2,Y+1/2,-Z                                         
REMARK 290       4555   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        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000       38.63500            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       85.61500            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       38.63500            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       85.61500            
REMARK 290   SMTRY3   4  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 APPLY THE FOLLOWING TO CHAINS: C, D, A, B                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (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     1                                                      
REMARK 465     ASP A     2                                                      
REMARK 465     LEU A     3                                                      
REMARK 465     GLU A     4                                                      
REMARK 465     LYS A     5                                                      
REMARK 465     ASN A     6                                                      
REMARK 465     TYR A     7                                                      
REMARK 465     PRO A     8                                                      
REMARK 465     THR A     9                                                      
REMARK 465     PRO A    10                                                      
REMARK 465     ARG A    11                                                      
REMARK 465     THR A    12                                                      
REMARK 465     SER A    13                                                      
REMARK 465     ARG A    14                                                      
REMARK 465     THR A    15                                                      
REMARK 465     GLY A    16                                                      
REMARK 465     HIS A    17                                                      
REMARK 465     GLY A    18                                                      
REMARK 465     VAL A   143                                                      
REMARK 465     GLN A   144                                                      
REMARK 465     GLN A   145                                                      
REMARK 465     PRO A   146                                                      
REMARK 465     PRO A   147                                                      
REMARK 465     ASN A   148                                                      
REMARK 465     GLN A   149                                                      
REMARK 465     VAL B   280                                                      
REMARK 465     PRO B   281                                                      
REMARK 465     SER B   282                                                      
REMARK 465     TYR B   283                                                      
REMARK 465     ASP B   284                                                      
REMARK 465     SER B   285                                                      
REMARK 465     PHE B   286                                                      
REMARK 465     ASP B   287                                                      
REMARK 465     TYR B   288                                                      
REMARK 465     GLU B   289                                                      
REMARK 465     ASP B   290                                                      
REMARK 465     TYR B   291                                                      
REMARK 465     PRO B   292                                                      
REMARK 465     ALA B   293                                                      
REMARK 465     ALA B   294                                                      
REMARK 465     LEU B   295                                                      
REMARK 465     PRO B   296                                                      
REMARK 465     ASN B   297                                                      
REMARK 465     HIS B   298                                                      
REMARK 465     LYS B   299                                                      
REMARK 465     PRO B   300                                                      
REMARK 465     LYS B   301                                                      
REMARK 465     GLY B   302                                                      
REMARK 465     THR B   303                                                      
REMARK 465     PHE B   304                                                      
REMARK 465     LYS B   305                                                      
REMARK 465     ASP B   306                                                      
REMARK 465     TYR B   307                                                      
REMARK 465     VAL B   308                                                      
REMARK 465     ASP B   438                                                      
REMARK 465     ALA B   439                                                      
REMARK 465     ASP B   440                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER;            
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     GLU A 101    CG   CD   OE1  OE2                                  
REMARK 470     ARG B 311    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP B 313    CG   OD1  OD2                                       
REMARK 470     ASN B 315    CG   OD1  ND2                                       
REMARK 470     LYS B 316    CG   CD   CE   NZ                                   
REMARK 470     ASP B 317    CG   OD1  OD2                                       
REMARK 470     LYS B 318    CG   CD   CE   NZ                                   
REMARK 470     LYS B 436    CG   CD   CE   NZ                                   
REMARK 470     PRO B 437    CG   CD                                             
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   O    ASP B   313     N    ASN B   315              2.13            
REMARK 500   OG1  THR B   425     CG   GLU B   428              2.16            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
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   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    PRO B 334   CD    PRO B 334   N      -0.253                       
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    LYS B 316   N   -  CA  -  C   ANGL. DEV. =  22.2 DEGREES          
REMARK 500    ASP B 317   N   -  CA  -  C   ANGL. DEV. =  18.0 DEGREES          
REMARK 500    PRO B 334   N   -  CD  -  CG  ANGL. DEV. =   7.7 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    GLN A  57      -71.18    -77.14                                   
REMARK 500    LEU A  58        5.39    -60.77                                   
REMARK 500    ALA A  91       57.57    -66.98                                   
REMARK 500    ASP A 127      -38.45   -130.13                                   
REMARK 500    VAL A 129      122.08    -38.42                                   
REMARK 500    THR A 141       55.18    -99.05                                   
REMARK 500    ARG B 311      -73.89    -78.76                                   
REMARK 500    ASP B 313       45.47    -84.83                                   
REMARK 500    LEU B 314       93.30    -47.51                                   
REMARK 500    ASN B 315      116.68     28.70                                   
REMARK 500    LYS B 316     -170.07    -39.77                                   
REMARK 500    ASP B 317      -57.54     19.03                                   
REMARK 500    LYS B 318      -97.98    -76.02                                   
REMARK 500    TYR B 329      -91.60    -83.90                                   
REMARK 500    THR B 330      102.12    -48.20                                   
REMARK 500    PRO B 334       46.97    -86.68                                   
REMARK 500    ILE B 335      119.27     69.30                                   
REMARK 500    THR B 346       45.09   -105.36                                   
REMARK 500    LYS B 348      -35.85    -38.64                                   
REMARK 500    GLN B 351       11.91    -56.31                                   
REMARK 500    ILE B 401      -55.65   -124.96                                   
REMARK 500    ALA B 406      150.75    -44.78                                   
REMARK 500    LYS B 408      131.36   -176.99                                   
REMARK 500    TYR B 410       -0.72     75.10                                   
REMARK 500    ASP B 434       62.55     63.06                                   
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     DA C  19         0.06    SIDE_CHAIN                              
REMARK 500     DC D  14         0.07    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1MD0   RELATED DB: PDB                                   
REMARK 900 SHORTER FRAGMENT OF ETS-1 COMPRISING THE ETS DNA-BINDING             
REMARK 900 DOMAIN AND N- AND C-TERMINAL INHIBITORY REGIONS                      
DBREF  1MDM A    1   149  UNP    Q02548   PAX5_HUMAN       1    149             
DBREF  1MDM B  280   440  UNP    P27577   ETS1_MOUSE     280    440             
DBREF  1MDM C    1    26  PDB    1MDM     1MDM             1     26             
DBREF  1MDM D    1    26  PDB    1MDM     1MDM             1     26             
SEQRES   1 C   26   DT  DT  DG  DC  DC  DG  DG  DA  DG  DA  DT  DG  DG          
SEQRES   2 C   26   DG  DC  DT  DC  DC  DA  DG  DT  DG  DG  DC  DC  DT          
SEQRES   1 D   26   DA  DA  DG  DG  DC  DC  DA  DC  DT  DG  DG  DA  DG          
SEQRES   2 D   26   DC  DC  DC  DA  DT  DC  DT  DC  DC  DG  DG  DC  DA          
SEQRES   1 A  149  MET ASP LEU GLU LYS ASN TYR PRO THR PRO ARG THR SER          
SEQRES   2 A  149  ARG THR GLY HIS GLY GLY VAL ASN GLN LEU GLY GLY VAL          
SEQRES   3 A  149  PHE VAL ASN GLY ARG PRO LEU PRO ASP VAL VAL ARG GLN          
SEQRES   4 A  149  ARG ILE VAL GLU LEU ALA HIS GLN GLY VAL ARG PRO CYS          
SEQRES   5 A  149  ASP ILE SER ARG GLN LEU ARG VAL SER HIS GLY CYS VAL          
SEQRES   6 A  149  SER LYS ILE LEU GLY ARG TYR TYR GLU THR GLY SER ILE          
SEQRES   7 A  149  LYS PRO GLY VAL ILE GLY GLY SER LYS PRO LYS VAL ALA          
SEQRES   8 A  149  THR PRO LYS VAL VAL GLU LYS ILE ALA GLU TYR LYS ARG          
SEQRES   9 A  149  GLN ASN PRO THR MET PHE ALA TRP GLU ILE ARG ASP ARG          
SEQRES  10 A  149  LEU LEU ALA GLU ARG VAL CYS ASP ASN ASP THR VAL PRO          
SEQRES  11 A  149  SER VAL SER SER ILE ASN ARG ILE ILE ARG THR LYS VAL          
SEQRES  12 A  149  GLN GLN PRO PRO ASN GLN                                      
SEQRES   1 B  161  VAL PRO SER TYR ASP SER PHE ASP TYR GLU ASP TYR PRO          
SEQRES   2 B  161  ALA ALA LEU PRO ASN HIS LYS PRO LYS GLY THR PHE LYS          
SEQRES   3 B  161  ASP TYR VAL ARG ASP ARG ALA ASP LEU ASN LYS ASP LYS          
SEQRES   4 B  161  PRO VAL ILE PRO ALA ALA ALA LEU ALA GLY TYR THR GLY          
SEQRES   5 B  161  SER GLY PRO ILE GLN LEU TRP GLN PHE LEU LEU GLU LEU          
SEQRES   6 B  161  LEU THR ASP LYS SER CYS GLN SER PHE ILE SER TRP THR          
SEQRES   7 B  161  GLY ASP GLY TRP GLU PHE LYS LEU SER ASP PRO ASP GLU          
SEQRES   8 B  161  VAL ALA ARG ARG TRP GLY LYS ARG LYS ASN LYS PRO LYS          
SEQRES   9 B  161  MET ASN TYR GLU LYS LEU SER ARG GLY LEU ARG TYR TYR          
SEQRES  10 B  161  TYR ASP LYS ASN ILE ILE HIS LYS THR ALA GLY LYS ARG          
SEQRES  11 B  161  TYR VAL TYR ARG PHE VAL CYS ASP LEU GLN SER LEU LEU          
SEQRES  12 B  161  GLY TYR THR PRO GLU GLU LEU HIS ALA MET LEU ASP VAL          
SEQRES  13 B  161  LYS PRO ASP ALA ASP                                          
HELIX    1   1 PRO A   34  GLN A   47  1                                  14    
HELIX    2   2 ARG A   50  LEU A   58  1                                   9    
HELIX    3   3 SER A   61  GLY A   76  1                                  16    
HELIX    4   4 THR A   92  ASN A  106  1                                  15    
HELIX    5   5 PHE A  110  GLU A  121  1                                  12    
HELIX    6   6 SER A  131  THR A  141  1                                  11    
HELIX    7   7 PRO B  322  THR B  330  1                                   9    
HELIX    8   8 GLN B  336  THR B  346  1                                  11    
HELIX    9   9 ASP B  347  GLN B  351  5                                   5    
HELIX   10  10 ASP B  367  LYS B  379  1                                  13    
HELIX   11  11 ASN B  385  TYR B  397  1                                  13    
HELIX   12  12 ASP B  398  ASN B  400  5                                   3    
HELIX   13  13 ASP B  417  GLY B  423  1                                   7    
HELIX   14  14 THR B  425  LEU B  433  1                                   9    
SHEET    1   A 4 SER B 355  TRP B 356  0                                        
SHEET    2   A 4 GLU B 362  LYS B 364 -1  O  LYS B 364   N  SER B 355           
SHEET    3   A 4 VAL B 411  PHE B 414 -1  O  TYR B 412   N  PHE B 363           
SHEET    4   A 4 ILE B 402  LYS B 404 -1  N  HIS B 403   O  ARG B 413           
CRYST1   77.270  171.230   44.710  90.00  90.00  90.00 P 21 21 2     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      0.012942  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.005840  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.022366        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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