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Database: PDB
Entry: 6BYY
LinkDB: 6BYY
Original site: 6BYY 
HEADER    TRANSCRIPTION/DNA                       21-DEC-17   6BYY              
TITLE     MEF2 CHIMERA/DNA COMPLEX                                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: MEF2 CHIMERA;                                              
COMPND   3 CHAIN: A, B, C, D;                                                   
COMPND   4 SYNONYM: SERUM RESPONSE FACTOR-LIKE PROTEIN 1,RSRFR2,SERUM RESPONSE  
COMPND   5 FACTOR-LIKE PROTEIN 2,SERUM RESPONSE FACTOR-LIKE PROTEIN 1;          
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'); 
COMPND   9 CHAIN: K, E;                                                         
COMPND  10 ENGINEERED: YES;                                                     
COMPND  11 MOL_ID: 3;                                                           
COMPND  12 MOLECULE: DNA (5'-D(P*TP*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-  
COMPND  13 3');                                                                 
COMPND  14 CHAIN: L, F;                                                         
COMPND  15 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: MEF2A, MEF2, MEF2B, XMEF2;                                     
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 SYNTHETIC: YES;                                                      
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
SOURCE  12 ORGANISM_TAXID: 9606;                                                
SOURCE  13 MOL_ID: 3;                                                           
SOURCE  14 SYNTHETIC: YES;                                                      
SOURCE  15 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  16 ORGANISM_COMMON: HUMAN;                                              
SOURCE  17 ORGANISM_TAXID: 9606                                                 
KEYWDS    MEF2A MEF2B MEF2 CHIMERA, TRANSCRIPTION, TRANSCRIPTION-DNA COMPLEX    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    X.LEI,L.CHEN                                                          
REVDAT   4   18-DEC-19 6BYY    1       REMARK                                   
REVDAT   3   11-APR-18 6BYY    1       JRNL                                     
REVDAT   2   07-MAR-18 6BYY    1       JRNL                                     
REVDAT   1   31-JAN-18 6BYY    0                                                
JRNL        AUTH   X.LEI,Y.KOU,Y.FU,N.RAJASHEKAR,H.SHI,F.WU,J.XU,Y.LUO,L.CHEN   
JRNL        TITL   THE CANCER MUTATION D83V INDUCES AN ALPHA-HELIX TO           
JRNL        TITL 2 BETA-STRAND CONFORMATION SWITCH IN MEF2B.                    
JRNL        REF    J. MOL. BIOL.                 V. 430  1157 2018              
JRNL        REFN                   ESSN 1089-8638                               
JRNL        PMID   29477338                                                     
JRNL        DOI    10.1016/J.JMB.2018.02.012                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX DEV_2926                                      
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 54.84                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 100.0                          
REMARK   3   NUMBER OF REFLECTIONS             : 29179                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.216                           
REMARK   3   R VALUE            (WORKING SET) : 0.213                           
REMARK   3   FREE R VALUE                     : 0.266                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.670                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1364                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 54.8547 -  4.9543    1.00     2934   169  0.2070 0.2513        
REMARK   3     2  4.9543 -  3.9327    1.00     2830   120  0.1863 0.2231        
REMARK   3     3  3.9327 -  3.4357    1.00     2798   142  0.2060 0.2500        
REMARK   3     4  3.4357 -  3.1216    1.00     2774   125  0.2052 0.2682        
REMARK   3     5  3.1216 -  2.8978    1.00     2755   152  0.2387 0.2921        
REMARK   3     6  2.8978 -  2.7270    1.00     2735   151  0.2416 0.2813        
REMARK   3     7  2.7270 -  2.5904    1.00     2744   121  0.2313 0.2898        
REMARK   3     8  2.5904 -  2.4777    1.00     2753   131  0.2309 0.3049        
REMARK   3     9  2.4777 -  2.3823    1.00     2772   102  0.2390 0.3369        
REMARK   3    10  2.3823 -  2.3001    1.00     2720   151  0.2613 0.3623        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.330            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 26.890           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 51.19                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :   NULL           NULL                                  
REMARK   3   ANGLE     :   NULL           NULL                                  
REMARK   3   CHIRALITY :   NULL           NULL                                  
REMARK   3   PLANARITY :   NULL           NULL                                  
REMARK   3   DIHEDRAL  :   NULL           NULL                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 6BYY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-JAN-18.                  
REMARK 100 THE DEPOSITION ID IS D_1000231816.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 30-SEP-16                          
REMARK 200  TEMPERATURE           (KELVIN) : 77                                 
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ALS                                
REMARK 200  BEAMLINE                       : 8.2.2                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9999                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 29180                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 54.855                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 10.50                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 19.8100                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.38                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 53.64                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.65                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M HAC PH 4.7, 150 MM NACL, 10 MM     
REMARK 280  CACL2, 5 MM MGCL2 AND 28% PEG 400, VAPOR DIFFUSION, HANGING DROP,   
REMARK 280  TEMPERATURE 295K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X+1/2,Y+1/2,-Z                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000       38.67500            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       38.88000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       38.67500            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       38.88000            
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 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 11210 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 13500 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -53.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, K, L                            
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 10350 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 13430 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -64.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, 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 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH A 231  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH D 113  LIES ON A SPECIAL POSITION.                          
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     HIS A    93                                                      
REMARK 465     ARG A    94                                                      
REMARK 465     GLY A    95                                                      
REMARK 465     MET B     1                                                      
REMARK 465     HIS B    93                                                      
REMARK 465     ARG B    94                                                      
REMARK 465     GLY B    95                                                      
REMARK 465     MET C     1                                                      
REMARK 465     HIS C    93                                                      
REMARK 465     ARG C    94                                                      
REMARK 465     GLY C    95                                                      
REMARK 465     MET D     1                                                      
REMARK 465     ARG D    91                                                      
REMARK 465     GLU D    92                                                      
REMARK 465     HIS D    93                                                      
REMARK 465     ARG D    94                                                      
REMARK 465     GLY D    95                                                      
REMARK 465      DT L     1                                                      
REMARK 465      DT F     1                                                      
REMARK 465      DT F    15                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    HOH A   256     O    HOH A   257              1.91            
REMARK 500   OP2   DG K    14     O    HOH K   101              1.91            
REMARK 500   O4    DT L    14     O    HOH L   101              1.96            
REMARK 500   OG1  THR B    60     O    HOH B   101              1.99            
REMARK 500   OH   TYR B    33     O    HOH B   102              2.00            
REMARK 500   O    HOH A   240     O    HOH L   117              2.01            
REMARK 500   OG1  THR A    20     O    HOH A   201              2.04            
REMARK 500   N7    DA L     9     O    HOH L   102              2.10            
REMARK 500   OE2  GLU A    74     O    HOH A   202              2.11            
REMARK 500   OD1  ASP D    63     O    HOH D   101              2.12            
REMARK 500   OP2   DT F     7     O    HOH F   201              2.12            
REMARK 500   OP1   DA K     6     O    HOH K   102              2.15            
REMARK 500   O    HOH K   104     O    HOH K   126              2.18            
REMARK 500   O    HOH A   238     O    HOH A   250              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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 D   112     O    HOH D   112     2555     1.89            
REMARK 500   O    HOH C   109     O    HOH F   205     4554     2.03            
REMARK 500   NH2  ARG B    79     OP1   DC L     3     3555     2.11            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500     DT K   5   O3'    DT K   5   C3'    -0.041                       
REMARK 500     DT K  11   O3'    DT K  11   C3'    -0.062                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500     DC L   3   O4' -  C1' -  N1  ANGL. DEV. =   2.2 DEGREES          
REMARK 500     DT E  11   O4' -  C1' -  N1  ANGL. DEV. =   2.1 DEGREES          
REMARK 500     DC F   3   O4' -  C1' -  N1  ANGL. DEV. =   1.9 DEGREES          
REMARK 500     DT F  11   O4' -  C1' -  N1  ANGL. DEV. =   2.1 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    THR A  60      -48.52   -137.51                                   
REMARK 500    ASP B  61      109.93    -34.65                                   
REMARK 500    ASP C  40       81.91     53.93                                   
REMARK 500    THR C  60      -66.12   -128.36                                   
REMARK 500    ARG D   3      -57.42     56.95                                   
REMARK 500    LYS D  89       76.22   -157.55                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 610                                                                      
REMARK 610 MISSING HETEROATOM                                                   
REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 610 I=INSERTION CODE):                                                   
REMARK 610   M RES C SSEQI                                                      
REMARK 610     1PG A  102                                                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 1PG A 101                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 1PG A 102                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue TCE F 101                 
DBREF  6BYY A    1    64  UNP    Q02078   MEF2A_HUMAN      1     64             
DBREF  6BYY A   65    91  UNP    Q02080   MEF2B_HUMAN     65     91             
DBREF  6BYY A   92    95  UNP    Q02078   MEF2A_HUMAN     92     95             
DBREF  6BYY B    1    64  UNP    Q02078   MEF2A_HUMAN      1     64             
DBREF  6BYY B   65    91  UNP    Q02080   MEF2B_HUMAN     65     91             
DBREF  6BYY B   92    95  UNP    Q02078   MEF2A_HUMAN     92     95             
DBREF  6BYY C    1    64  UNP    Q02078   MEF2A_HUMAN      1     64             
DBREF  6BYY C   65    91  UNP    Q02080   MEF2B_HUMAN     65     91             
DBREF  6BYY C   92    95  UNP    Q02078   MEF2A_HUMAN     92     95             
DBREF  6BYY D    1    64  UNP    Q02078   MEF2A_HUMAN      1     64             
DBREF  6BYY D   65    91  UNP    Q02080   MEF2B_HUMAN     65     91             
DBREF  6BYY D   92    95  UNP    Q02078   MEF2A_HUMAN     92     95             
DBREF  6BYY K    2    15  PDB    6BYY     6BYY             2     15             
DBREF  6BYY L    1    15  PDB    6BYY     6BYY             1     15             
DBREF  6BYY E    2    15  PDB    6BYY     6BYY             2     15             
DBREF  6BYY F    1    15  PDB    6BYY     6BYY             1     15             
SEQRES   1 A   95  MET GLY ARG LYS LYS ILE GLN ILE THR ARG ILE MET ASP          
SEQRES   2 A   95  GLU ARG ASN ARG GLN VAL THR PHE THR LYS ARG LYS PHE          
SEQRES   3 A   95  GLY LEU MET LYS LYS ALA TYR GLU LEU SER VAL LEU CYS          
SEQRES   4 A   95  ASP CYS GLU ILE ALA LEU ILE ILE PHE ASN SER SER ASN          
SEQRES   5 A   95  LYS LEU PHE GLN TYR ALA SER THR ASP MET ASP LYS VAL          
SEQRES   6 A   95  LEU LEU LYS TYR THR GLU TYR SER GLU PRO HIS GLU SER          
SEQRES   7 A   95  ARG THR ASN THR ASP ILE LEU GLU THR LEU LYS ARG ARG          
SEQRES   8 A   95  GLU HIS ARG GLY                                              
SEQRES   1 B   95  MET GLY ARG LYS LYS ILE GLN ILE THR ARG ILE MET ASP          
SEQRES   2 B   95  GLU ARG ASN ARG GLN VAL THR PHE THR LYS ARG LYS PHE          
SEQRES   3 B   95  GLY LEU MET LYS LYS ALA TYR GLU LEU SER VAL LEU CYS          
SEQRES   4 B   95  ASP CYS GLU ILE ALA LEU ILE ILE PHE ASN SER SER ASN          
SEQRES   5 B   95  LYS LEU PHE GLN TYR ALA SER THR ASP MET ASP LYS VAL          
SEQRES   6 B   95  LEU LEU LYS TYR THR GLU TYR SER GLU PRO HIS GLU SER          
SEQRES   7 B   95  ARG THR ASN THR ASP ILE LEU GLU THR LEU LYS ARG ARG          
SEQRES   8 B   95  GLU HIS ARG GLY                                              
SEQRES   1 C   95  MET GLY ARG LYS LYS ILE GLN ILE THR ARG ILE MET ASP          
SEQRES   2 C   95  GLU ARG ASN ARG GLN VAL THR PHE THR LYS ARG LYS PHE          
SEQRES   3 C   95  GLY LEU MET LYS LYS ALA TYR GLU LEU SER VAL LEU CYS          
SEQRES   4 C   95  ASP CYS GLU ILE ALA LEU ILE ILE PHE ASN SER SER ASN          
SEQRES   5 C   95  LYS LEU PHE GLN TYR ALA SER THR ASP MET ASP LYS VAL          
SEQRES   6 C   95  LEU LEU LYS TYR THR GLU TYR SER GLU PRO HIS GLU SER          
SEQRES   7 C   95  ARG THR ASN THR ASP ILE LEU GLU THR LEU LYS ARG ARG          
SEQRES   8 C   95  GLU HIS ARG GLY                                              
SEQRES   1 D   95  MET GLY ARG LYS LYS ILE GLN ILE THR ARG ILE MET ASP          
SEQRES   2 D   95  GLU ARG ASN ARG GLN VAL THR PHE THR LYS ARG LYS PHE          
SEQRES   3 D   95  GLY LEU MET LYS LYS ALA TYR GLU LEU SER VAL LEU CYS          
SEQRES   4 D   95  ASP CYS GLU ILE ALA LEU ILE ILE PHE ASN SER SER ASN          
SEQRES   5 D   95  LYS LEU PHE GLN TYR ALA SER THR ASP MET ASP LYS VAL          
SEQRES   6 D   95  LEU LEU LYS TYR THR GLU TYR SER GLU PRO HIS GLU SER          
SEQRES   7 D   95  ARG THR ASN THR ASP ILE LEU GLU THR LEU LYS ARG ARG          
SEQRES   8 D   95  GLU HIS ARG GLY                                              
SEQRES   1 K   14   DA  DA  DC  DT  DA  DT  DT  DT  DA  DT  DA  DA  DG          
SEQRES   2 K   14   DA                                                          
SEQRES   1 L   15   DT  DT  DC  DT  DT  DA  DT  DA  DA  DA  DT  DA  DG          
SEQRES   2 L   15   DT  DT                                                      
SEQRES   1 E   14   DA  DA  DC  DT  DA  DT  DT  DT  DA  DT  DA  DA  DG          
SEQRES   2 E   14   DA                                                          
SEQRES   1 F   15   DT  DT  DC  DT  DT  DA  DT  DA  DA  DA  DT  DA  DG          
SEQRES   2 F   15   DT  DT                                                      
HET    1PG  A 101      17                                                       
HET    1PG  A 102       7                                                       
HET    TCE  F 101      16                                                       
HETNAM     1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-           
HETNAM   2 1PG  ETHANOL                                                         
HETNAM     TCE 3,3',3''-PHOSPHANETRIYLTRIPROPANOIC ACID                         
HETSYN     TCE 3-[BIS(2-CARBOXYETHYL)PHOSPHANYL]PROPANOIC ACID                  
FORMUL   9  1PG    2(C11 H24 O6)                                                
FORMUL  11  TCE    C9 H15 O6 P                                                  
FORMUL  12  HOH   *198(H2 O)                                                    
HELIX    1 AA1 ASP A   13  ASP A   40  1                                  28    
HELIX    2 AA2 ASP A   61  GLU A   71  1                                  11    
HELIX    3 AA3 THR A   80  ARG A   90  1                                  11    
HELIX    4 AA4 ASP B   13  ASP B   40  1                                  28    
HELIX    5 AA5 ASP B   61  GLU B   71  1                                  11    
HELIX    6 AA6 ASN B   81  GLU B   92  1                                  12    
HELIX    7 AA7 ASP C   13  ASP C   40  1                                  28    
HELIX    8 AA8 ASP C   61  TYR C   72  1                                  12    
HELIX    9 AA9 THR C   80  ARG C   90  1                                  11    
HELIX   10 AB1 ASP D   13  ASP D   40  1                                  28    
HELIX   11 AB2 ASP D   61  GLU D   71  1                                  11    
HELIX   12 AB3 THR D   80  LEU D   88  1                                   9    
SHEET    1 AA1 6 GLU A  77  ARG A  79  0                                        
SHEET    2 AA1 6 LEU B  54  ALA B  58  1  O  GLN B  56   N  GLU A  77           
SHEET    3 AA1 6 GLU B  42  PHE B  48 -1  N  LEU B  45   O  TYR B  57           
SHEET    4 AA1 6 GLU A  42  PHE A  48 -1  N  PHE A  48   O  GLU B  42           
SHEET    5 AA1 6 LEU A  54  ALA A  58 -1  O  TYR A  57   N  LEU A  45           
SHEET    6 AA1 6 GLU B  77  THR B  80  1  O  ARG B  79   N  GLN A  56           
SHEET    1 AA2 6 GLU C  77  ARG C  79  0                                        
SHEET    2 AA2 6 LEU D  54  ALA D  58  1  O  GLN D  56   N  ARG C  79           
SHEET    3 AA2 6 GLU D  42  PHE D  48 -1  N  LEU D  45   O  TYR D  57           
SHEET    4 AA2 6 GLU C  42  PHE C  48 -1  N  GLU C  42   O  PHE D  48           
SHEET    5 AA2 6 LEU C  54  ALA C  58 -1  O  PHE C  55   N  ILE C  47           
SHEET    6 AA2 6 GLU D  77  ARG D  79  1  O  ARG D  79   N  GLN C  56           
SITE     1 AC1  9 GLU A  42  VAL A  65  LYS A  68  GLU A  71                    
SITE     2 AC1  9 TYR A  72  ASN B  52  THR D  70  GLU D  71                    
SITE     3 AC1  9 HOH D 103                                                     
SITE     1 AC2  8 GLU A  77  HOH A 211  THR B  22  LYS B  25                    
SITE     2 AC2  8 PHE B  55  HOH B 119   DA K   3   DC K   4                    
SITE     1 AC3  3 GLN C  18  ASN C  49   DT F  14                               
CRYST1   77.350   77.760  106.310  90.00  90.00  90.00 P 21 21 2    16          
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      0.012928  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.012860  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.009406        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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