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Database: PDB
Entry: 1K78
LinkDB: 1K78
Original site: 1K78 
HEADER    TRANSCRIPTION/DNA                       18-OCT-01   1K78              
TITLE     PAX5(1-149)+ETS-1(331-440)+DNA                                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PAX5/ETS BINDING SITE ON THE MB-1 PROMOTER;                
COMPND   3 CHAIN: C, G;                                                         
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, H;                                                         
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 3;                                                           
COMPND  10 MOLECULE: PAIRED BOX PROTEIN PAX5;                                   
COMPND  11 CHAIN: A, E, I;                                                      
COMPND  12 FRAGMENT: PAIRED DOMAIN;                                             
COMPND  13 ENGINEERED: YES;                                                     
COMPND  14 MOL_ID: 4;                                                           
COMPND  15 MOLECULE: C-ETS-1 PROTEIN;                                           
COMPND  16 CHAIN: B, F;                                                         
COMPND  17 FRAGMENT: ETS DOMAIN;                                                
COMPND  18 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 MOL_ID: 2;                                                           
SOURCE   4 SYNTHETIC: YES;                                                      
SOURCE   5 MOL_ID: 3;                                                           
SOURCE   6 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   7 ORGANISM_COMMON: HUMAN;                                              
SOURCE   8 ORGANISM_TAXID: 9606;                                                
SOURCE   9 GENE: PAX5;                                                          
SOURCE  10 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  11 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  12 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  13 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  14 EXPRESSION_SYSTEM_PLASMID: PET11A;                                   
SOURCE  15 MOL_ID: 4;                                                           
SOURCE  16 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE  17 ORGANISM_COMMON: HOUSE MOUSE;                                        
SOURCE  18 ORGANISM_TAXID: 10090;                                               
SOURCE  19 GENE: ETS-1;                                                         
SOURCE  20 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  21 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  22 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  23 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  24 EXPRESSION_SYSTEM_PLASMID: PET11A                                    
KEYWDS    PAIRED DOMAIN, ETS DOMAIN, TRANSCRIPTION FACTOR,                      
KEYWDS   2 TRANSCRIPTION/DNA COMPLEX                                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    C.W.GARVIE,J.HAGMAN,C.WOLBERGER                                       
REVDAT   2   24-FEB-09 1K78    1       VERSN                                    
REVDAT   1   04-JAN-02 1K78    0                                                
JRNL        AUTH   C.W.GARVIE,J.HAGMAN,C.WOLBERGER                              
JRNL        TITL   STRUCTURAL STUDIES OF ETS-1/PAX5 COMPLEX FORMATION           
JRNL        TITL 2 ON DNA.                                                      
JRNL        REF    MOL.CELL                      V.   8  1267 2001              
JRNL        REFN                   ISSN 1097-2765                               
JRNL        PMID   11779502                                                     
JRNL        DOI    10.1016/S1097-2765(01)00410-5                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.25 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 AND HUBER                                  
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.25                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 45.94                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 3301348.530                    
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 98.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 56830                          
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) : 0.227                           
REMARK   3   FREE R VALUE                     : 0.260                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2877                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.005                           
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) : 2.25                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.39                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 100.00                       
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 8945                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2430                       
REMARK   3   BIN FREE R VALUE                    : 0.2950                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 5.20                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 487                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.013                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 4215                                    
REMARK   3   NUCLEIC ACID ATOMS       : 2202                                    
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 484                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 24.80                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 48.10                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -2.39000                                             
REMARK   3    B22 (A**2) : 6.39000                                              
REMARK   3    B33 (A**2) : -4.00000                                             
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) : 0.28                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.17                            
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) : 0.33                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.25                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.007                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.10                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 19.70                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.05                            
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) : 3.000 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 4.090 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 4.670 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 5.740 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.41                                                 
REMARK   3   BSOL        : 60.02                                                
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: NULL                                      
REMARK   4                                                                      
REMARK   4 1K78 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-OCT-01.                  
REMARK 100 THE RCSB ID CODE IS RCSB014647.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 08-JUN-00; 28-SEP-00               
REMARK 200  TEMPERATURE           (KELVIN) : 100; 100                           
REMARK 200  PH                             : 4.6                                
REMARK 200  NUMBER OF CRYSTALS USED        : 2                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y; Y                               
REMARK 200  RADIATION SOURCE               : APS; NSLS                          
REMARK 200  BEAMLINE                       : 14-BM-D; X4A                       
REMARK 200  X-RAY GENERATOR MODEL          : NULL; NULL                         
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M; M                               
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9788, 0.9790, 0.9537; 0.9117     
REMARK 200  MONOCHROMATOR                  : CARS-DESIGN SI(111) DOUBLE-        
REMARK 200                                   BOUNCE; DOUBLE SI(111) CRYSTAL     
REMARK 200  OPTICS                         : NULL; NULL                         
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD; CCD                           
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 4; ADSC QUANTUM 4     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 57710                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.250                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 45.940                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.8                               
REMARK 200  DATA REDUNDANCY                : 4.700                              
REMARK 200  R MERGE                    (I) : 0.06600                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 21.8000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.25                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.33                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.19800                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 8.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: MAD; SINGLE WAVELENGTH                         
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD                          
REMARK 200 SOFTWARE USED: SOLVE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 54.38                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.70                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 50MM MAGNESIUM ACETATE, 200MM            
REMARK 280  AMMONIUM SULPHATE, 20% PEG4000, 100MM ACETATE BUFFER, PH 4.6,       
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
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       38.92000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       85.37000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       44.87500            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       85.37000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       38.92000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       44.87500            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1,2                                                     
REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT             
REMARK 300 WHICH CONSISTS OF 9 CHAIN(S).  SEE REMARK 350 FOR                    
REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).                
REMARK 300 AN EXTRA MOLECULE (CHAIN I) WAS FOUND BOUND TO THE DNA.              
REMARK 300 THIS IS BELIEVED TO BE A CRYSTALLOGRAPHIC ARTIFACT DUE               
REMARK 300 TO A PSEUDO-CONSENSUS SEQUENCE.  IT WAS NOT OBSERVED IN              
REMARK 300 THE SECOND BIOMOLECULE.                                              
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: PENTAMERIC                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, A, B, I                         
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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, H, E, F                            
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     GLY B   331                                                      
REMARK 465     SER B   332                                                      
REMARK 465     GLY B   333                                                      
REMARK 465     PRO B   334                                                      
REMARK 465     PRO B   437                                                      
REMARK 465     ASP B   438                                                      
REMARK 465     ALA B   439                                                      
REMARK 465     ASP B   440                                                      
REMARK 465     MET E     1                                                      
REMARK 465     ASP E     2                                                      
REMARK 465     LEU E     3                                                      
REMARK 465     GLU E     4                                                      
REMARK 465     LYS E     5                                                      
REMARK 465     ASN E     6                                                      
REMARK 465     TYR E     7                                                      
REMARK 465     PRO E     8                                                      
REMARK 465     THR E     9                                                      
REMARK 465     PRO E    10                                                      
REMARK 465     ARG E    11                                                      
REMARK 465     THR E    12                                                      
REMARK 465     SER E    13                                                      
REMARK 465     ARG E    14                                                      
REMARK 465     THR E    15                                                      
REMARK 465     GLY E    16                                                      
REMARK 465     HIS E    17                                                      
REMARK 465     GLY E    18                                                      
REMARK 465     VAL E   143                                                      
REMARK 465     GLN E   144                                                      
REMARK 465     GLN E   145                                                      
REMARK 465     PRO E   146                                                      
REMARK 465     PRO E   147                                                      
REMARK 465     ASN E   148                                                      
REMARK 465     GLN E   149                                                      
REMARK 465     GLY F   331                                                      
REMARK 465     SER F   332                                                      
REMARK 465     GLY F   333                                                      
REMARK 465     PRO F   437                                                      
REMARK 465     ASP F   438                                                      
REMARK 465     ALA F   439                                                      
REMARK 465     ASP F   440                                                      
REMARK 465     MET I     1                                                      
REMARK 465     ASP I     2                                                      
REMARK 465     LEU I     3                                                      
REMARK 465     GLU I     4                                                      
REMARK 465     LYS I     5                                                      
REMARK 465     ASN I     6                                                      
REMARK 465     TYR I     7                                                      
REMARK 465     PRO I     8                                                      
REMARK 465     THR I     9                                                      
REMARK 465     PRO I    10                                                      
REMARK 465     ARG I    11                                                      
REMARK 465     THR I    12                                                      
REMARK 465     SER I    13                                                      
REMARK 465     ARG I    14                                                      
REMARK 465     THR I    15                                                      
REMARK 465     GLY I    16                                                      
REMARK 465     HIS I    17                                                      
REMARK 465     GLY I    18                                                      
REMARK 465     GLY I    19                                                      
REMARK 465     VAL I    20                                                      
REMARK 465     ASN I    21                                                      
REMARK 465     GLN I    22                                                      
REMARK 465     LEU I    23                                                      
REMARK 465     GLY I    24                                                      
REMARK 465     GLY I    25                                                      
REMARK 465     VAL I    26                                                      
REMARK 465     PHE I    27                                                      
REMARK 465     VAL I    28                                                      
REMARK 465     ASN I    29                                                      
REMARK 465     GLY I    30                                                      
REMARK 465     ARG I    31                                                      
REMARK 465     PRO I    32                                                      
REMARK 465     LEU I    33                                                      
REMARK 465     PRO I    34                                                      
REMARK 465     ASP I    35                                                      
REMARK 465     VAL I    36                                                      
REMARK 465     VAL I    37                                                      
REMARK 465     ARG I    38                                                      
REMARK 465     GLN I    39                                                      
REMARK 465     ARG I    40                                                      
REMARK 465     ILE I    41                                                      
REMARK 465     VAL I    42                                                      
REMARK 465     GLU I    43                                                      
REMARK 465     LEU I    44                                                      
REMARK 465     ALA I    45                                                      
REMARK 465     HIS I    46                                                      
REMARK 465     GLN I    47                                                      
REMARK 465     GLY I    48                                                      
REMARK 465     VAL I    49                                                      
REMARK 465     ARG I    50                                                      
REMARK 465     PRO I    51                                                      
REMARK 465     CYS I    52                                                      
REMARK 465     ASP I    53                                                      
REMARK 465     ILE I    54                                                      
REMARK 465     SER I    55                                                      
REMARK 465     ARG I    56                                                      
REMARK 465     GLN I    57                                                      
REMARK 465     LEU I    58                                                      
REMARK 465     ARG I    59                                                      
REMARK 465     VAL I    60                                                      
REMARK 465     SER I    61                                                      
REMARK 465     HIS I    62                                                      
REMARK 465     GLY I    63                                                      
REMARK 465     CYS I    64                                                      
REMARK 465     VAL I    65                                                      
REMARK 465     SER I    66                                                      
REMARK 465     LYS I    67                                                      
REMARK 465     ILE I    68                                                      
REMARK 465     LEU I    69                                                      
REMARK 465     GLY I    70                                                      
REMARK 465     ARG I    71                                                      
REMARK 465     TYR I    72                                                      
REMARK 465     TYR I    73                                                      
REMARK 465     GLU I    74                                                      
REMARK 465     THR I    75                                                      
REMARK 465     GLY I    76                                                      
REMARK 465     SER I    77                                                      
REMARK 465     ILE I    78                                                      
REMARK 465     LYS I    79                                                      
REMARK 465     PRO I    80                                                      
REMARK 465     GLY I    81                                                      
REMARK 465     VAL I    82                                                      
REMARK 465     ILE I    83                                                      
REMARK 465     LYS I   142                                                      
REMARK 465     VAL I   143                                                      
REMARK 465     GLN I   144                                                      
REMARK 465     GLN I   145                                                      
REMARK 465     PRO I   146                                                      
REMARK 465     PRO I   147                                                      
REMARK 465     ASN I   148                                                      
REMARK 465     GLN I   149                                                      
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     LYS B 436    CG   CD   CE   NZ                                   
REMARK 470     PRO F 334    CG   CD                                             
REMARK 470     LYS F 436    CG   CD   CE   NZ                                   
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O    HOH A   150     O    HOH B   460     4555     2.13            
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 E 142   N   -  CA  -  C   ANGL. DEV. = -20.7 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    THR A 141     -109.27    -78.98                                   
REMARK 500    THR E 141       59.21   -155.00                                   
REMARK 500    VAL I  90      -32.40   -137.32                                   
REMARK 500    ALA I  91       37.63    -78.55                                   
REMARK 500    ASN I 126       -7.44    -56.58                                   
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  14         0.05    SIDE_CHAIN                              
REMARK 500     DC D  22         0.07    SIDE_CHAIN                              
REMARK 500     DC H  22         0.06    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 165        DISTANCE =  5.58 ANGSTROMS                       
REMARK 525    HOH C  51        DISTANCE =  5.90 ANGSTROMS                       
REMARK 525    HOH B 491        DISTANCE =  5.82 ANGSTROMS                       
REMARK 525    HOH B 492        DISTANCE =  5.72 ANGSTROMS                       
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1K79   RELATED DB: PDB                                   
REMARK 900 ETS-1(331-440)+GGAA DUPLEX                                           
REMARK 900 RELATED ID: 1K7A   RELATED DB: PDB                                   
REMARK 900 ETS-1(331-440)+GGAG DUPLEX                                           
DBREF  1K78 A    1   149  UNP    Q02548   PAX5_HUMAN       1    149             
DBREF  1K78 E    1   149  UNP    Q02548   PAX5_HUMAN       1    149             
DBREF  1K78 I    1   149  UNP    Q02548   PAX5_HUMAN       1    149             
DBREF  1K78 B  331   440  UNP    P27577   ETS1_MOUSE     331    440             
DBREF  1K78 F  331   440  UNP    P27577   ETS1_MOUSE     331    440             
DBREF  1K78 C    1    27  PDB    1K78     1K78             1     27             
DBREF  1K78 D    1    27  PDB    1K78     1K78             1     27             
DBREF  1K78 G    1    27  PDB    1K78     1K78             1     27             
DBREF  1K78 H    1    27  PDB    1K78     1K78             1     27             
SEQRES   1 C   27   DT  DT  DG  DT  DG  DC  DC  DG  DG  DA  DG  DA  DT          
SEQRES   2 C   27   DG  DG  DG  DC  DT  DC  DC  DA  DG  DT  DG  DG  DC          
SEQRES   3 C   27   DC                                                          
SEQRES   1 D   27   DA  DA  DG  DG  DC  DC  DA  DC  DT  DG  DG  DA  DG          
SEQRES   2 D   27   DC  DC  DC  DA  DT  DC  DT  DC  DC  DG  DG  DC  DA          
SEQRES   3 D   27   DC                                                          
SEQRES   1 G   27   DT  DT  DG  DT  DG  DC  DC  DG  DG  DA  DG  DA  DT          
SEQRES   2 G   27   DG  DG  DG  DC  DT  DC  DC  DA  DG  DT  DG  DG  DC          
SEQRES   3 G   27   DC                                                          
SEQRES   1 H   27   DA  DA  DG  DG  DC  DC  DA  DC  DT  DG  DG  DA  DG          
SEQRES   2 H   27   DC  DC  DC  DA  DT  DC  DT  DC  DC  DG  DG  DC  DA          
SEQRES   3 H   27   DC                                                          
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  110  GLY SER GLY PRO ILE GLN LEU TRP GLN PHE LEU LEU GLU          
SEQRES   2 B  110  LEU LEU THR ASP LYS SER CYS GLN SER PHE ILE SER TRP          
SEQRES   3 B  110  THR GLY ASP GLY TRP GLU PHE LYS LEU SER ASP PRO ASP          
SEQRES   4 B  110  GLU VAL ALA ARG ARG TRP GLY LYS ARG LYS ASN LYS PRO          
SEQRES   5 B  110  LYS MET ASN TYR GLU LYS LEU SER ARG GLY LEU ARG TYR          
SEQRES   6 B  110  TYR TYR ASP LYS ASN ILE ILE HIS LYS THR ALA GLY LYS          
SEQRES   7 B  110  ARG TYR VAL TYR ARG PHE VAL CYS ASP LEU GLN SER LEU          
SEQRES   8 B  110  LEU GLY TYR THR PRO GLU GLU LEU HIS ALA MET LEU ASP          
SEQRES   9 B  110  VAL LYS PRO ASP ALA ASP                                      
SEQRES   1 E  149  MET ASP LEU GLU LYS ASN TYR PRO THR PRO ARG THR SER          
SEQRES   2 E  149  ARG THR GLY HIS GLY GLY VAL ASN GLN LEU GLY GLY VAL          
SEQRES   3 E  149  PHE VAL ASN GLY ARG PRO LEU PRO ASP VAL VAL ARG GLN          
SEQRES   4 E  149  ARG ILE VAL GLU LEU ALA HIS GLN GLY VAL ARG PRO CYS          
SEQRES   5 E  149  ASP ILE SER ARG GLN LEU ARG VAL SER HIS GLY CYS VAL          
SEQRES   6 E  149  SER LYS ILE LEU GLY ARG TYR TYR GLU THR GLY SER ILE          
SEQRES   7 E  149  LYS PRO GLY VAL ILE GLY GLY SER LYS PRO LYS VAL ALA          
SEQRES   8 E  149  THR PRO LYS VAL VAL GLU LYS ILE ALA GLU TYR LYS ARG          
SEQRES   9 E  149  GLN ASN PRO THR MET PHE ALA TRP GLU ILE ARG ASP ARG          
SEQRES  10 E  149  LEU LEU ALA GLU ARG VAL CYS ASP ASN ASP THR VAL PRO          
SEQRES  11 E  149  SER VAL SER SER ILE ASN ARG ILE ILE ARG THR LYS VAL          
SEQRES  12 E  149  GLN GLN PRO PRO ASN GLN                                      
SEQRES   1 F  110  GLY SER GLY PRO ILE GLN LEU TRP GLN PHE LEU LEU GLU          
SEQRES   2 F  110  LEU LEU THR ASP LYS SER CYS GLN SER PHE ILE SER TRP          
SEQRES   3 F  110  THR GLY ASP GLY TRP GLU PHE LYS LEU SER ASP PRO ASP          
SEQRES   4 F  110  GLU VAL ALA ARG ARG TRP GLY LYS ARG LYS ASN LYS PRO          
SEQRES   5 F  110  LYS MET ASN TYR GLU LYS LEU SER ARG GLY LEU ARG TYR          
SEQRES   6 F  110  TYR TYR ASP LYS ASN ILE ILE HIS LYS THR ALA GLY LYS          
SEQRES   7 F  110  ARG TYR VAL TYR ARG PHE VAL CYS ASP LEU GLN SER LEU          
SEQRES   8 F  110  LEU GLY TYR THR PRO GLU GLU LEU HIS ALA MET LEU ASP          
SEQRES   9 F  110  VAL LYS PRO ASP ALA ASP                                      
SEQRES   1 I  149  MET ASP LEU GLU LYS ASN TYR PRO THR PRO ARG THR SER          
SEQRES   2 I  149  ARG THR GLY HIS GLY GLY VAL ASN GLN LEU GLY GLY VAL          
SEQRES   3 I  149  PHE VAL ASN GLY ARG PRO LEU PRO ASP VAL VAL ARG GLN          
SEQRES   4 I  149  ARG ILE VAL GLU LEU ALA HIS GLN GLY VAL ARG PRO CYS          
SEQRES   5 I  149  ASP ILE SER ARG GLN LEU ARG VAL SER HIS GLY CYS VAL          
SEQRES   6 I  149  SER LYS ILE LEU GLY ARG TYR TYR GLU THR GLY SER ILE          
SEQRES   7 I  149  LYS PRO GLY VAL ILE GLY GLY SER LYS PRO LYS VAL ALA          
SEQRES   8 I  149  THR PRO LYS VAL VAL GLU LYS ILE ALA GLU TYR LYS ARG          
SEQRES   9 I  149  GLN ASN PRO THR MET PHE ALA TRP GLU ILE ARG ASP ARG          
SEQRES  10 I  149  LEU LEU ALA GLU ARG VAL CYS ASP ASN ASP THR VAL PRO          
SEQRES  11 I  149  SER VAL SER SER ILE ASN ARG ILE ILE ARG THR LYS VAL          
SEQRES  12 I  149  GLN GLN PRO PRO ASN GLN                                      
FORMUL  10  HOH   *484(H2 O)                                                    
HELIX    1   1 ASP A   35  GLN A   47  1                                  13    
HELIX    2   2 PRO A   51  LEU A   58  1                                   8    
HELIX    3   3 HIS A   62  THR A   75  1                                  14    
HELIX    4   4 PRO A   93  GLN A  105  1                                  13    
HELIX    5   5 ALA A  111  GLU A  121  1                                  11    
HELIX    6   6 VAL A  132  ARG A  140  1                                   9    
HELIX    7   7 LEU B  337  THR B  346  1                                  10    
HELIX    8   8 PRO B  368  LYS B  379  1                                  12    
HELIX    9   9 TYR B  386  TYR B  396  1                                  11    
HELIX   10  10 LEU B  418  LEU B  422  1                                   5    
HELIX   11  11 PRO B  426  LEU B  433  1                                   8    
HELIX   12  12 ASP E   35  GLN E   47  1                                  13    
HELIX   13  13 PRO E   51  LEU E   58  1                                   8    
HELIX   14  14 HIS E   62  THR E   75  1                                  14    
HELIX   15  15 PRO E   93  GLN E  105  1                                  13    
HELIX   16  16 ALA E  111  GLU E  121  1                                  11    
HELIX   17  17 VAL E  132  ARG E  140  1                                   9    
HELIX   18  18 LEU F  337  THR F  346  1                                  10    
HELIX   19  20 TYR F  386  TYR F  396  1                                  11    
HELIX   20  21 LEU F  418  LEU F  422  1                                   5    
HELIX   21  22 PRO F  426  LEU F  433  1                                   8    
HELIX   22  23 PRO I   93  GLN I  105  1                                  13    
HELIX   23  24 ALA I  111  GLU I  121  1                                  11    
HELIX   24  25 VAL I  132  ARG I  140  1                                   9    
SHEET    1   A 2 GLY A  19  ASN A  21  0                                        
SHEET    2   A 2 GLY A  25  PHE A  27 -1  O  GLY A  25   N  ASN A  21           
SHEET    1   B 4 ILE B 354  TRP B 356  0                                        
SHEET    2   B 4 GLU B 362  LYS B 364 -1  N  LYS B 364   O  SER B 355           
SHEET    3   B 4 ILE B 402  LYS B 404 -1  O  HIS B 403   N  ARG B 413           
SHEET    4   B 4 VAL B 411  PHE B 414 -1  N  TYR B 412   O  PHE B 363           
SHEET    1   C 2 GLY E  19  ASN E  21  0                                        
SHEET    2   C 2 GLY E  25  PHE E  27 -1  O  GLY E  25   N  ASN E  21           
SHEET    1   D 4 ILE F 354  TRP F 356  0                                        
SHEET    2   D 4 GLU F 362  LYS F 364 -1  N  LYS F 364   O  SER F 355           
SHEET    3   D 4 ILE F 402  LYS F 404 -1  O  HIS F 403   N  ARG F 413           
SHEET    4   D 4 VAL F 411  PHE F 414 -1  N  TYR F 412   O  PHE F 363           
CRYST1   77.840   89.750  170.740  90.00  90.00  90.00 P 21 21 21   12          
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      0.012847  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.011142  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.005857        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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