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Database: PDB
Entry: 2QL2
LinkDB: 2QL2
Original site: 2QL2 
HEADER    TRANSCRIPTION/DNA                       12-JUL-07   2QL2              
TITLE     CRYSTAL STRUCTURE OF THE BASIC-HELIX-LOOP-HELIX DOMAINS OF            
TITLE    2 THE HETERODIMER E47/NEUROD1 BOUND TO DNA                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TRANSCRIPTION FACTOR E2-ALPHA;                             
COMPND   3 CHAIN: A, C;                                                         
COMPND   4 FRAGMENT: BASIC-HELIX-LOOP-HELIX DOMAIN;                             
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: NEUROGENIC DIFFERENTIATION FACTOR 1;                       
COMPND   8 CHAIN: B, D;                                                         
COMPND   9 FRAGMENT: BASIC HELIX-LOOP-HELIX DOMAIN;                             
COMPND  10 SYNONYM: NEUROD1;                                                    
COMPND  11 ENGINEERED: YES;                                                     
COMPND  12 MOL_ID: 3;                                                           
COMPND  13 MOLECULE: DNA (5'-                                                   
COMPND  14 D(*DTP*DAP*DGP*DGP*DCP*DCP*DAP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*          
COMPND  15 DCP*DT)-3');                                                         
COMPND  16 CHAIN: E, G;                                                         
COMPND  17 ENGINEERED: YES;                                                     
COMPND  18 MOL_ID: 4;                                                           
COMPND  19 MOLECULE: DNA (5'-                                                   
COMPND  20 D(*DAP*DGP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DTP*DGP*DGP*DCP*DCP*          
COMPND  21 DTP*DA)-3');                                                         
COMPND  22 CHAIN: F, H;                                                         
COMPND  23 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: TCF3;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)STAR;                             
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET24B;                                   
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE  13 ORGANISM_COMMON: MOUSE;                                              
SOURCE  14 ORGANISM_TAXID: 10090;                                               
SOURCE  15 GENE: NEUROD1, NEUROD;                                               
SOURCE  16 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  17 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  18 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)STAR;                             
SOURCE  19 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  20 EXPRESSION_SYSTEM_PLASMID: PCDF-1B;                                  
SOURCE  21 MOL_ID: 3;                                                           
SOURCE  22 SYNTHETIC: YES;                                                      
SOURCE  23 OTHER_DETAILS: SYNTHESIZED OLIGONUCLEOTIDE;                          
SOURCE  24 MOL_ID: 4;                                                           
SOURCE  25 SYNTHETIC: YES;                                                      
SOURCE  26 OTHER_DETAILS: SYNTHESIZED OLIGONUCLEOTIDE                           
KEYWDS    BASIC-HELIX-LOOP-HELIX, PROTEIN-DNA COMPLEX, HETERODIMER,             
KEYWDS   2 DNA-BINDING, ACTIVATOR, DEVELOPMENTAL PROTEIN,                       
KEYWDS   3 DIFFERENTIATION, NEUROGENESIS, NUCLEUS, PHOSPHORYLATION,             
KEYWDS   4 TRANSCRIPTION, TRANSCRIPTION REGULATION, CYTOPLASM,                  
KEYWDS   5 PHOSPHOPROTEIN, TRANSCRIPTION/DNA COMPLEX                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.B.ROSE,A.LONGO,G.P.GUANGA                                           
REVDAT   4   09-JUN-09 2QL2    1       REVDAT                                   
REVDAT   3   24-FEB-09 2QL2    1       VERSN                                    
REVDAT   2   02-DEC-08 2QL2    1       JRNL                                     
REVDAT   1   04-NOV-08 2QL2    0                                                
JRNL        AUTH   A.LONGO,G.P.GUANGA,R.B.ROSE                                  
JRNL        TITL   CRYSTAL STRUCTURE OF E47-NEUROD1/BETA2 BHLH                  
JRNL        TITL 2 DOMAIN-DNA COMPLEX: HETERODIMER SELECTIVITY AND DNA          
JRNL        TITL 3 RECOGNITION.                                                 
JRNL        REF    BIOCHEMISTRY                  V.  47   218 2008              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   18069799                                                     
JRNL        DOI    10.1021/BI701527R                                            
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS                                                  
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,             
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 55.80                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 97.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 18781                          
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) : 0.248                           
REMARK   3   FREE R VALUE                     : 0.289                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 9.800                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1884                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.50                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.59                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 94.00                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3963                       
REMARK   3   BIN FREE R VALUE                    : 0.4337                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 197                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1751                                    
REMARK   3   NUCLEIC ACID ATOMS       : 1300                                    
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 41                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 76.00                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 57.00                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -8.54900                                             
REMARK   3    B22 (A**2) : -10.08400                                            
REMARK   3    B33 (A**2) : 18.63300                                             
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) : 0.40                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.39                            
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) : 0.47                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.46                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.006                           
REMARK   3   BOND ANGLES            (DEGREES) : NULL                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : ISOTROPIC                                 
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   KSOL        : NULL                                                 
REMARK   3   BSOL        : 83.75                                                
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  : CNS_TOPPAR:PROTEIN_REP.PARAM                   
REMARK   3  PARAMETER FILE  2  : CNS_TOPPAR:WATER.PARAM                         
REMARK   3  PARAMETER FILE  3  : CNS_TOPPAR:DNA-RNA.PARAM                       
REMARK   3  PARAMETER FILE  4  : CNS_TOPPAR:ION.PARAM                           
REMARK   3  PARAMETER FILE  5  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3  TOPOLOGY FILE  2   : NULL                                           
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3  TOPOLOGY FILE  4   : NULL                                           
REMARK   3  TOPOLOGY FILE  5   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: OPTIMAL  B-RESTRAINTS WEIGHT              
REMARK   3  (RWEIGHT) IN CNS WAS 0.0198                                         
REMARK   4                                                                      
REMARK   4 2QL2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-JUL-08.                  
REMARK 100 THE RCSB ID CODE IS RCSB043732.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 01-DEC-06                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.6                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 22-BM                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.000                              
REMARK 200  MONOCHROMATOR                  : SI (111) DOUBLE CRYSTAL            
REMARK 200  OPTICS                         : SAGITTAL FOCUSING CRYSTAL AND      
REMARK 200                                   VERTICAL FOCUSING DOUBLE MIRROR    
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MAR SCANNER 345 MM PLATE           
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 18832                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 169.546                            
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 1.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.7                               
REMARK 200  DATA REDUNDANCY                : 7.200                              
REMARK 200  R MERGE                    (I) : 0.07600                            
REMARK 200  R SYM                      (I) : 0.07600                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 5.7000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.64                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 94.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 7.10                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.77000                            
REMARK 200  R SYM FOR SHELL            (I) : 0.77000                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: CNS                                                   
REMARK 200 STARTING MODEL: PDB ENTRY 1MDY                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 55.93                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.79                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 MM IMIDAZOLE, 0.2 M AMMONIUM         
REMARK 280  CITRATE DIBASIC, AND 22 % PEG 4000, PH 7.6, EVAPORATION,            
REMARK 280  TEMPERATURE 291K                                                    
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       30.15500            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       84.77000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       30.15500            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       84.77000            
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, 3                                                 
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: THE BIOLOGICAL ASSEMBLY IS A HETERODIMER OF E47 AND          
REMARK 300 NEUROD1 BOUND TO A DNA DUPLEX. THERE ARE 2 OF THESE COMPLEXES IN     
REMARK 300 THE ASYMMETRIC UNIT.                                                 
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: 5540 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11330 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -61.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, A, B                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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: 5230 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11630 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -59.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, H, C, D                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: OCTAMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 12440 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 21290 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -132.0 KCAL/MOL                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, G, H, A, B, C, D                
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     SER A   575                                                      
REMARK 465     ASP A   576                                                      
REMARK 465     LYS A   577                                                      
REMARK 465     ARG A   602                                                      
REMARK 465     GLY B   160                                                      
REMARK 465     LYS C   577                                                      
REMARK 465     ALA C   578                                                      
REMARK 465     SER D   101                                                      
REMARK 465     SER D   159                                                      
REMARK 465     GLY D   160                                                      
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     ARG A 543    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG A 567    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLN A 570    CG   CD   OE1  NE2                                  
REMARK 470     LEU A 571    CG   CD1  CD2                                       
REMARK 470     LYS A 574    CG   CD   CE   NZ                                   
REMARK 470     GLU A 601    CG   CD   OE1  OE2                                  
REMARK 470     SER B 101    OG                                                  
REMARK 470     ARG B 102    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG B 103    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     MET B 104    CG   SD   CE                                        
REMARK 470     LYS B 105    CG   CD   CE   NZ                                   
REMARK 470     ARG B 109    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS B 133    CG   CD   CE   NZ                                   
REMARK 470     THR B 134    OG1  CG2                                            
REMARK 470     GLN B 135    CG   CD   OE1  NE2                                  
REMARK 470     SER B 159    OG                                                  
REMARK 470     ARG C 543    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG C 544    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU C 551    CG   CD   OE1  OE2                                  
REMARK 470     GLU C 560    CG   CD   OE1  OE2                                  
REMARK 470     ARG C 563    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU C 564    CG   CD   OE1  OE2                                  
REMARK 470     ARG C 567    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLN C 570    CG   CD   OE1  NE2                                  
REMARK 470     LEU C 571    CG   CD1  CD2                                       
REMARK 470     LYS C 574    CG   CD   CE   NZ                                   
REMARK 470     ASP C 576    CG   OD1  OD2                                       
REMARK 470     ARG C 602    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG D 102    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG D 103    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS D 105    CG   CD   CE   NZ                                   
REMARK 470     ARG D 109    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS D 133    CG   CD   CE   NZ                                   
REMARK 470     LYS D 147    CG   CD   CE   NZ                                   
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 E   6   O4' -  C1' -  N1  ANGL. DEV. =   2.0 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    GLN A 579       86.96     85.37                                   
REMARK 500    VAL A 599       16.27    -67.38                                   
REMARK 500    SER B 132      111.73   -167.86                                   
REMARK 500    ARG B 158      -58.54   -128.91                                   
REMARK 500    LYS C 574      -82.88     73.34                                   
REMARK 500    SER C 575      109.51      4.55                                   
REMARK 500    THR D 134       78.55   -157.92                                   
REMARK 500    GLN D 135       62.22    169.44                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THE PROTEIN IN CHAINS A AND C MATCH THE UNP SEQUENCE DATABASE        
REMARK 999 REFERENCE P15806(ISOFORM E47; P15806-2), RESIDUES 544-603            
DBREF  2QL2 A  543   602  PDB    2QL2     2QL2             1     60             
DBREF  2QL2 B  102   160  UNP    Q60867   NDF1_MOUSE     102    160             
DBREF  2QL2 C  543   602  PDB    2QL2     2QL2             1     60             
DBREF  2QL2 D  102   160  UNP    Q60867   NDF1_MOUSE     102    160             
DBREF  2QL2 E    1    16  PDB    2QL2     2QL2             1     16             
DBREF  2QL2 F   20    35  PDB    2QL2     2QL2             1     16             
DBREF  2QL2 G    1    16  PDB    2QL2     2QL2             1     16             
DBREF  2QL2 H   20    35  PDB    2QL2     2QL2             1     16             
SEQADV 2QL2 SER B  101  UNP  Q60867              INSERTION                      
SEQADV 2QL2 SER D  101  UNP  Q60867              INSERTION                      
SEQRES   1 A   60  ARG ARG MET ALA ASN ASN ALA ARG GLU ARG VAL ARG VAL          
SEQRES   2 A   60  ARG ASP ILE ASN GLU ALA PHE ARG GLU LEU GLY ARG MET          
SEQRES   3 A   60  CYS GLN LEU HIS LEU LYS SER ASP LYS ALA GLN THR LYS          
SEQRES   4 A   60  LEU LEU ILE LEU GLN GLN ALA VAL GLN VAL ILE LEU GLY          
SEQRES   5 A   60  LEU GLU GLN GLN VAL ARG GLU ARG                              
SEQRES   1 B   60  SER ARG ARG MET LYS ALA ASN ALA ARG GLU ARG ASN ARG          
SEQRES   2 B   60  MET HIS GLY LEU ASN ALA ALA LEU ASP ASN LEU ARG LYS          
SEQRES   3 B   60  VAL VAL PRO CYS TYR SER LYS THR GLN LYS LEU SER LYS          
SEQRES   4 B   60  ILE GLU THR LEU ARG LEU ALA LYS ASN TYR ILE TRP ALA          
SEQRES   5 B   60  LEU SER GLU ILE LEU ARG SER GLY                              
SEQRES   1 C   60  ARG ARG MET ALA ASN ASN ALA ARG GLU ARG VAL ARG VAL          
SEQRES   2 C   60  ARG ASP ILE ASN GLU ALA PHE ARG GLU LEU GLY ARG MET          
SEQRES   3 C   60  CYS GLN LEU HIS LEU LYS SER ASP LYS ALA GLN THR LYS          
SEQRES   4 C   60  LEU LEU ILE LEU GLN GLN ALA VAL GLN VAL ILE LEU GLY          
SEQRES   5 C   60  LEU GLU GLN GLN VAL ARG GLU ARG                              
SEQRES   1 D   60  SER ARG ARG MET LYS ALA ASN ALA ARG GLU ARG ASN ARG          
SEQRES   2 D   60  MET HIS GLY LEU ASN ALA ALA LEU ASP ASN LEU ARG LYS          
SEQRES   3 D   60  VAL VAL PRO CYS TYR SER LYS THR GLN LYS LEU SER LYS          
SEQRES   4 D   60  ILE GLU THR LEU ARG LEU ALA LYS ASN TYR ILE TRP ALA          
SEQRES   5 D   60  LEU SER GLU ILE LEU ARG SER GLY                              
SEQRES   1 E   16   DT  DA  DG  DG  DC  DC  DA  DT  DC  DT  DG  DG  DT          
SEQRES   2 E   16   DC  DC  DT                                                  
SEQRES   1 F   16   DA  DG  DG  DA  DC  DC  DA  DG  DA  DT  DG  DG  DC          
SEQRES   2 F   16   DC  DT  DA                                                  
SEQRES   1 G   16   DT  DA  DG  DG  DC  DC  DA  DT  DC  DT  DG  DG  DT          
SEQRES   2 G   16   DC  DC  DT                                                  
SEQRES   1 H   16   DA  DG  DG  DA  DC  DC  DA  DG  DA  DT  DG  DG  DC          
SEQRES   2 H   16   DC  DT  DA                                                  
FORMUL   9  HOH   *41(H2 O)                                                     
HELIX    1   1 ARG A  543  LEU A  571  1                                  29    
HELIX    2   2 THR A  580  VAL A  599  1                                  20    
HELIX    3   3 SER B  101  VAL B  127  1                                  27    
HELIX    4   4 SER B  138  LEU B  157  1                                  20    
HELIX    5   5 ARG C  543  LYS C  574  1                                  32    
HELIX    6   6 THR C  580  ARG C  602  1                                  23    
HELIX    7   7 ARG D  103  VAL D  128  1                                  26    
HELIX    8   8 SER D  138  ARG D  158  1                                  21    
CRYST1   60.310  169.540   52.240  90.00  90.00  90.00 P 21 21 2     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      0.016581  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.005898  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.019142        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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