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Database: PDB
Entry: 1H89
LinkDB: 1H89
Original site: 1H89 
HEADER    TRANSCRIPTION/DNA                       30-JAN-01   1H89              
TITLE     CRYSTAL STRUCTURE OF TERNARY PROTEIN-DNA COMPLEX2                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CAAT/ENHANCER BINDING PROTEIN BETA;                        
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: RESIDUES 273-336;                                          
COMPND   5 SYNONYM: C/EBP BETA, NFIL-6;                                         
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 OTHER_DETAILS: BZIP DOMAIN;                                          
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: MYB PROTO-ONCOGENE PROTEIN;                                
COMPND  10 CHAIN: C;                                                            
COMPND  11 FRAGMENT: RESIDUES 35-193;                                           
COMPND  12 SYNONYM: C-MYB;                                                      
COMPND  13 ENGINEERED: YES;                                                     
COMPND  14 MUTATION: YES;                                                       
COMPND  15 OTHER_DETAILS: DNA BINDING DOMAIN;                                   
COMPND  16 MOL_ID: 3;                                                           
COMPND  17 MOLECULE: DNA(5'-(*GP*AP*TP*GP*TP*GP*GP*CP*GP*CP*AP*                 
COMPND  18 AP*TP*CP*CP*TP*TP*AP*AP*CP*GP*GP*AP*CP*TP*G)-3');                    
COMPND  19 CHAIN: D;                                                            
COMPND  20 FRAGMENT: FRAGMENT FROM TOM-1A PROMOTER;                             
COMPND  21 ENGINEERED: YES;                                                     
COMPND  22 MOL_ID: 4;                                                           
COMPND  23 MOLECULE: DNA(5'-(*CP*CP*AP*GP*TP*CP*CP*GP*TP*TP*AP*                 
COMPND  24 AP*GP*GP*AP*TP*TP*GP*CP*GP*CP*CP*AP*CP*AP*T)-3');                    
COMPND  25 CHAIN: E;                                                            
COMPND  26 FRAGMENT: FRAGMENT FROM TOM-1A PROMOTER;                             
COMPND  27 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PAR2156;                                  
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE  12 ORGANISM_COMMON: HOUSE MOUSE;                                        
SOURCE  13 ORGANISM_TAXID: 10090;                                               
SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  15 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  16 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  18 EXPRESSION_SYSTEM_PLASMID: PAR2156;                                  
SOURCE  19 MOL_ID: 3;                                                           
SOURCE  20 SYNTHETIC: YES;                                                      
SOURCE  21 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  22 ORGANISM_TAXID: 9606;                                                
SOURCE  23 MOL_ID: 4;                                                           
SOURCE  24 SYNTHETIC: YES;                                                      
SOURCE  25 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  26 ORGANISM_TAXID: 9606                                                 
KEYWDS    TRANSCRIPTION/DNA, PROTEIN-DNA COMPLEX, TRANSCRIPTION REGULATION,     
KEYWDS   2 BZIP, PROTO-ONCOGENE, MYB, C-MYB, C/EBP, TRANSCRIPTION-DNA COMPLEX   
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    T.H.TAHIROV,K.OGATA                                                   
REVDAT   3   08-MAY-19 1H89    1       SOURCE REMARK                            
REVDAT   2   24-FEB-09 1H89    1       VERSN                                    
REVDAT   1   28-JAN-02 1H89    0                                                
JRNL        AUTH   T.H.TAHIROV,K.SATO,E.ICHIKAWA-IWATA,M.SASAKI,T.INOUE-BUNGO,  
JRNL        AUTH 2 M.SHIINA,K.KIMURA,S.TAKATA,A.FUJIKAWA,H.MORII,T.KUMASAKA,    
JRNL        AUTH 3 M.YAMAMOTO,S.ISHII,K.OGATA                                   
JRNL        TITL   MECHANISM OF C-MYB-C/EBPBETA COOPERATION FROM SEPARATED      
JRNL        TITL 2 SITES ON A PROMOTER                                          
JRNL        REF    CELL(CAMBRIDGE,MASS.)         V. 108    57 2002              
JRNL        REFN                   ISSN 0092-8674                               
JRNL        PMID   11792321                                                     
JRNL        DOI    10.1016/S0092-8674(01)00636-5                                
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   T.H.TAHIROV,T.INOUE,M.SASAKI,M.SHIINA,K.KIMURA,K.SATO,       
REMARK   1  AUTH 2 T.KUMASAKA,M.YAMAMOTO,N.KAMIYA,K.OGATA                       
REMARK   1  TITL   CRYSTALS OF TERNARY PROTEIN-DNA COMPLEXES COMPOSED OF        
REMARK   1  TITL 2 DNA-BINDING DOMAINS C-MYB OR V-MYB, C/EBPALPHA OR C/EBPBETA  
REMARK   1  TITL 3 AND TOM-1A PROMOTER FRAGMENT                                 
REMARK   1  REF    ACTA CRYSTALLOGR.,SECT.D      V.  57  1655 2001              
REMARK   1  REFN                   ISSN 0907-4449                               
REMARK   1  PMID   11679735                                                     
REMARK   1  DOI    10.1107/S0907444901011982                                    
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   T.H.TAHIROV,H.MORII,H.UEDAIRA,M.SASAKI,A.SARAI,S.ADACHI,     
REMARK   1  AUTH 2 S.Y.PARK,N.KAMIYA,K.OGATA                                    
REMARK   1  TITL   CRYSTAL STRUCTURES OF C-MYB DNA-BINDING DOMAIN IN FREE       
REMARK   1  TITL 2 STATE: AN EVIDENCE FOR BINDING OF NA+ AND COMPARISON WITH    
REMARK   1  TITL 3 SOLUTION STRUCTURE RUNT DOMAIN, CBFBETA AND THE C/EBPBETA    
REMARK   1  TITL 4 BZIP REGION                                                  
REMARK   1  REF    TO BE PUBLISHED                                              
REMARK   1  REFN                                                                
REMARK   1 REFERENCE 3                                                          
REMARK   1  AUTH   T.H.TAHIROV,T.INOUE-BUNGO,H.MORII,A.FUJIKAWA,M.SASAKI,       
REMARK   1  AUTH 2 K.KIMURA,M.SHIINA,K.SATO,T.KUMASAKA,M.YAMAMOTO,S.ISHII,      
REMARK   1  AUTH 3 K.OGATA                                                      
REMARK   1  TITL   STRUCTURAL ANALYSES OF DNA RECOGNITION BY THE AML1/ RUNX-1   
REMARK   1  TITL 2 RUNT DOMAIN AND ITS ALLOSTERIC CONTROL BY CBFBETA            
REMARK   1  REF    CELL(CAMBRIDGE,MASS.)         V. 104   755 2001              
REMARK   1  REFN                   ISSN 0092-8674                               
REMARK   1  PMID   11257229                                                     
REMARK   1  DOI    10.1016/S0092-8674(01)00271-9                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.45 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 0.9                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : NULL                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.45                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.94                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 979672.690                     
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 98.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 27319                          
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) : 0.229                           
REMARK   3   FREE R VALUE                     : 0.267                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.900                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1339                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.007                           
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) : 2.45                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.60                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 85.40                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 3725                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.4220                       
REMARK   3   BIN FREE R VALUE                    : 0.3930                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 5.40                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 213                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.027                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2080                                    
REMARK   3   NUCLEIC ACID ATOMS       : 1060                                    
REMARK   3   HETEROGEN ATOMS          : 2                                       
REMARK   3   SOLVENT ATOMS            : 123                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 67.00                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 65.60                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 12.16000                                             
REMARK   3    B22 (A**2) : 6.54000                                              
REMARK   3    B33 (A**2) : -18.70000                                            
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) : 0.38                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.60                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 20.0                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.45                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.71                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.005                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.100                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 18.10                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.140                           
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) : 6.930 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 9.810 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 12.380; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 14.780; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.29                                                 
REMARK   3   BSOL        : 38.09                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : DNA-RNA_REP.PARAM                              
REMARK   3  PARAMETER FILE  3  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  4  : 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: BULK SOLVENT MODEL USED. ATOMS C, O, N,   
REMARK   3  CA AND CB ARE HARMONICALLY RESTRAINED DURING REFINEMENT WITH        
REMARK   3  HARMONIC RESTRAINT CONSTANT OF 100                                  
REMARK   4                                                                      
REMARK   4 1H89 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 30-JAN-01.                  
REMARK 100 THE DEPOSITION ID IS D_1290005846.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 17-NOV-98                          
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 7.00                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SPRING-8                           
REMARK 200  BEAMLINE                       : BL45XU                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.04                               
REMARK 200  MONOCHROMATOR                  : DIAMOND                            
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS IV                    
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 27451                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.450                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.0                               
REMARK 200  DATA REDUNDANCY                : 7.496                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.07200                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 27.5043                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.45                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.54                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 95.5                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.00                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.39700                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.162                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: X-PLOR 3.851                                          
REMARK 200 STARTING MODEL: 1H88                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 65.50                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.66                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M KCL, 0.05 MGSO4, 4% V/V MPD, 6%    
REMARK 280  V/V GLYCEROL, 0.05 M NA HEPES PH 7.0 AT 24 DEGREES C, PH 7.00,      
REMARK 280  VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 297K                     
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       31.34200            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       80.84950            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       36.69150            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       80.84950            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       31.34200            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       36.69150            
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 300 REMARK: OF C/EBP BETA AND MONOMER OF MYB PROTO-                      
REMARK 300  ONCOGENE PROTEINBOUND TO A DUPLEX DNA FRAGMENTFOR                   
REMARK 300  THE HETERO-ASSEMBLY DESCRIBED BY REMARK 350 THE                     
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: PENTAMERIC                 
REMARK 350 SOFTWARE USED: PQS                                                   
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E                         
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 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400 CHAIN C ENGINEERED MUTATION LYS35MET, ARG36GLY                       
REMARK 400  C/EBP BETA IS IMPORTANT TRANSCRIPTIONAL ACTIVATOR IN THE REGULATION 
REMARK 400  OF GENES INVOLVED IN IMMUNE AND INFLAMMATORY RESPONSES. SPECIFICALL 
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 C    35                                                      
REMARK 465     GLY C    36                                                      
REMARK 465     HIS C    37                                                      
REMARK 465     LEU C    38                                                      
REMARK 465     GLY C    39                                                      
REMARK 465     LYS C    40                                                      
REMARK 465     THR C    41                                                      
REMARK 465     ARG C    42                                                      
REMARK 465     TRP C    43                                                      
REMARK 465     THR C    44                                                      
REMARK 465     ARG C    45                                                      
REMARK 465     GLU C    46                                                      
REMARK 465     GLU C    47                                                      
REMARK 465     ASP C    48                                                      
REMARK 465     GLU C    49                                                      
REMARK 465     LYS C    50                                                      
REMARK 465     LEU C    51                                                      
REMARK 465     LYS C    52                                                      
REMARK 465     LYS C    53                                                      
REMARK 465     LEU C    54                                                      
REMARK 465     VAL C    55                                                      
REMARK 465     GLU C    56                                                      
REMARK 465     GLN C    57                                                      
REMARK 465     ASN C    58                                                      
REMARK 465     GLY C    59                                                      
REMARK 465     THR C    60                                                      
REMARK 465     ASP C    61                                                      
REMARK 465     ASP C    62                                                      
REMARK 465     TRP C    63                                                      
REMARK 465     LYS C    64                                                      
REMARK 465     VAL C    65                                                      
REMARK 465     ILE C    66                                                      
REMARK 465     ALA C    67                                                      
REMARK 465     ASN C    68                                                      
REMARK 465     TYR C    69                                                      
REMARK 465     LEU C    70                                                      
REMARK 465     PRO C    71                                                      
REMARK 465     ASN C    72                                                      
REMARK 465     ARG C    73                                                      
REMARK 465     THR C    74                                                      
REMARK 465     ASP C    75                                                      
REMARK 465     VAL C    76                                                      
REMARK 465     LYS C   192                                                      
REMARK 465     VAL C   193                                                      
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     DA D  19   O4' -  C1' -  N9  ANGL. DEV. =   2.0 DEGREES          
REMARK 500     DG E  13   N9  -  C1' -  C2' ANGL. DEV. =   9.0 DEGREES          
REMARK 500     DG E  13   O4' -  C1' -  N9  ANGL. DEV. =   2.5 DEGREES          
REMARK 500     DG E  20   O4' -  C1' -  N9  ANGL. DEV. =   1.9 DEGREES          
REMARK 500     DC E  24   O4' -  C1' -  N1  ANGL. DEV. =   2.2 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    TYR A 274      -63.07    -21.05                                   
REMARK 500    LYS B 332       -0.25    -54.97                                   
REMARK 500    VAL C  85      -79.66   -143.00                                   
REMARK 500    PRO C  88        0.17    -67.57                                   
REMARK 500    ARG C 165       67.26   -101.35                                   
REMARK 500    PRO C 174      -74.22    -27.75                                   
REMARK 500    SER C 187     -105.75   -127.46                                   
REMARK 500    THR C 188      -59.80    -24.51                                   
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 D   1         0.06    SIDE CHAIN                              
REMARK 500     DC D   8         0.06    SIDE CHAIN                              
REMARK 500     DC E  19         0.07    SIDE CHAIN                              
REMARK 500     DG E  20         0.05    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                               K C1192   K                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU B 336   OE1                                                    
REMARK 620 2 ARG C 125   O    70.7                                              
REMARK 620 3 LEU C 122   O   136.6  80.3                                        
REMARK 620 4 ALA C 119   O   133.8  86.3  73.1                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                               K C1193   K                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 LEU C 173   O                                                      
REMARK 620 2 ARG C 176   O    87.0                                              
REMARK 620 3 PRO C 174   O    62.8 117.2                                        
REMARK 620 4 HOH C2018   O   126.1  96.7  68.1                                  
REMARK 620 5 ALA C 170   O    66.5  81.3 123.9 167.3                            
REMARK 620 N                    1     2     3     4                             
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K C1192                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K C1193                   
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1H88   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF TERNARY PROTEIN-DNA COMPLEX1                    
REMARK 900 RELATED ID: 1HJB   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF RUNX-1/AML1/CBFALPHA RUNT DOMAIN AND C/EBPBETA  
REMARK 900 BZIP DIMERIC BOUND TO A DNA FRAGMENT FROM THE CSF-1R PROMOTER        
REMARK 900 RELATED ID: 1IO4   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF RUNX-1/AML1/CBFALPHA RUNT DOMAIN-CBFBETA CORE   
REMARK 900 DOMAIN DIMERIC AND C/EBPBETA BZIP DIMERIC BOUND TO A DNA FRAGMENT    
REMARK 900 FROM THE CSF-1R PROMOTER                                             
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 LYS 35 WAS REPLACED BY MET AND ARG 36                                
REMARK 999 WAS REPLACED BY GLY BECAUSE OF EXPRESSION                            
REMARK 999 IN ESCHERICHIA COLI.                                                 
DBREF  1H89 A  273   336  UNP    P17676   CEBB_HUMAN     273    336             
DBREF  1H89 B  273   336  UNP    P17676   CEBB_HUMAN     273    336             
DBREF  1H89 C   35   193  GENP   CAA26552 CAA26552        35    193             
DBREF  1H89 D    1    26  PDB    1H89     1H89             1     26             
DBREF  1H89 E    1    26  PDB    1H89     1H89             1     26             
SEQADV 1H89 MET C   35  GENP CAA26552  LYS    35 ENGINEERED MUTATION            
SEQADV 1H89 GLY C   36  GENP CAA26552  ARG    36 ENGINEERED MUTATION            
SEQRES   1 A   64  GLU TYR LYS ILE ARG ARG GLU ARG ASN ASN ILE ALA VAL          
SEQRES   2 A   64  ARG LYS SER ARG ASP LYS ALA LYS MET ARG ASN LEU GLU          
SEQRES   3 A   64  THR GLN HIS LYS VAL LEU GLU LEU THR ALA GLU ASN GLU          
SEQRES   4 A   64  ARG LEU GLN LYS LYS VAL GLU GLN LEU SER ARG GLU LEU          
SEQRES   5 A   64  SER THR LEU ARG ASN LEU PHE LYS GLN LEU PRO GLU              
SEQRES   1 B   64  GLU TYR LYS ILE ARG ARG GLU ARG ASN ASN ILE ALA VAL          
SEQRES   2 B   64  ARG LYS SER ARG ASP LYS ALA LYS MET ARG ASN LEU GLU          
SEQRES   3 B   64  THR GLN HIS LYS VAL LEU GLU LEU THR ALA GLU ASN GLU          
SEQRES   4 B   64  ARG LEU GLN LYS LYS VAL GLU GLN LEU SER ARG GLU LEU          
SEQRES   5 B   64  SER THR LEU ARG ASN LEU PHE LYS GLN LEU PRO GLU              
SEQRES   1 C  159  MET GLY HIS LEU GLY LYS THR ARG TRP THR ARG GLU GLU          
SEQRES   2 C  159  ASP GLU LYS LEU LYS LYS LEU VAL GLU GLN ASN GLY THR          
SEQRES   3 C  159  ASP ASP TRP LYS VAL ILE ALA ASN TYR LEU PRO ASN ARG          
SEQRES   4 C  159  THR ASP VAL GLN CYS GLN HIS ARG TRP GLN LYS VAL LEU          
SEQRES   5 C  159  ASN PRO GLU LEU ILE LYS GLY PRO TRP THR LYS GLU GLU          
SEQRES   6 C  159  ASP GLN ARG VAL ILE LYS LEU VAL GLN LYS TYR GLY PRO          
SEQRES   7 C  159  LYS ARG TRP SER VAL ILE ALA LYS HIS LEU LYS GLY ARG          
SEQRES   8 C  159  ILE GLY LYS GLN CYS ARG GLU ARG TRP HIS ASN HIS LEU          
SEQRES   9 C  159  ASN PRO GLU VAL LYS LYS THR SER TRP THR GLU GLU GLU          
SEQRES  10 C  159  ASP ARG ILE ILE TYR GLN ALA HIS LYS ARG LEU GLY ASN          
SEQRES  11 C  159  ARG TRP ALA GLU ILE ALA LYS LEU LEU PRO GLY ARG THR          
SEQRES  12 C  159  ASP ASN ALA ILE LYS ASN HIS TRP ASN SER THR MET ARG          
SEQRES  13 C  159  ARG LYS VAL                                                  
SEQRES   1 D   26   DG  DA  DT  DG  DT  DG  DG  DC  DG  DC  DA  DA  DT          
SEQRES   2 D   26   DC  DC  DT  DT  DA  DA  DC  DG  DG  DA  DC  DT  DG          
SEQRES   1 E   26   DC  DC  DA  DG  DT  DC  DC  DG  DT  DT  DA  DA  DG          
SEQRES   2 E   26   DG  DA  DT  DT  DG  DC  DG  DC  DC  DA  DC  DA  DT          
HET      K  C1192       1                                                       
HET      K  C1193       1                                                       
HETNAM       K POTASSIUM ION                                                    
FORMUL   6    K    2(K 1+)                                                      
FORMUL   8  HOH   *123(H2 O)                                                    
HELIX    1   1 GLU A  273  GLN A  333  1                                  61    
HELIX    2   2 GLU B  273  LYS B  332  1                                  60    
HELIX    3   3 GLN C   77  LYS C   84  1                                   8    
HELIX    4   4 THR C   96  GLY C  111  1                                  16    
HELIX    5   5 ARG C  114  HIS C  121  1                                   8    
HELIX    6   6 ILE C  126  HIS C  137  1                                  12    
HELIX    7   7 THR C  148  GLY C  163  1                                  16    
HELIX    8   8 ARG C  165  LYS C  171  1                                   7    
HELIX    9   9 THR C  177  SER C  187  1                                  11    
LINK         K     K C1192                 OE1 GLU B 336     1555   2765  2.51  
LINK         K     K C1192                 O   ARG C 125     1555   1555  2.83  
LINK         K     K C1192                 O   LEU C 122     1555   1555  2.53  
LINK         K     K C1192                 O   ALA C 119     1555   1555  2.61  
LINK         K     K C1193                 O   LEU C 173     1555   1555  2.71  
LINK         K     K C1193                 O   ARG C 176     1555   1555  2.98  
LINK         K     K C1193                 O   PRO C 174     1555   1555  3.19  
LINK         K     K C1193                 O   HOH C2018     1555   1555  3.45  
LINK         K     K C1193                 O   ALA C 170     1555   1555  2.99  
SITE     1 AC1  4 GLU B 336  ALA C 119  LEU C 122  ARG C 125                    
SITE     1 AC2  4 ALA C 170  LEU C 173  PRO C 174  ARG C 176                    
CRYST1   62.684   73.383  161.699  90.00  90.00  90.00 P 21 21 21    8          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.015953  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.013627  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.006184        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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