GenomeNet

Database: PDB
Entry: 1S9K
LinkDB: 1S9K
Original site: 1S9K 
HEADER    TRANSCRIPTION/DNA                       04-FEB-04   1S9K              
TITLE     CRYSTAL STRUCTURE OF HUMAN NFAT1 AND FOS-JUN ON THE IL-2              
TITLE    2 ARRE1 SITE                                                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HUMAN IL-2 ARRE1 PROMOTER ELEMENT, PLUS STRAND;            
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: HUMAN IL-2 ARRE1 PROMOTER ELEMENT, MINUS STRAND;           
COMPND   7 CHAIN: B;                                                            
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 3;                                                           
COMPND  10 MOLECULE: NUCLEAR FACTOR OF ACTIVATED T-CELLS, CYTOPLASMIC           
COMPND  11 2;                                                                   
COMPND  12 CHAIN: C;                                                            
COMPND  13 SYNONYM: T CELL TRANSCRIPTION FACTOR NFAT1, NFAT PRE-                
COMPND  14 EXISTING SUBUNIT, NF-ATP;                                            
COMPND  15 ENGINEERED: YES;                                                     
COMPND  16 MOL_ID: 4;                                                           
COMPND  17 MOLECULE: PROTO-ONCOGENE PROTEIN C-FOS;                              
COMPND  18 CHAIN: D;                                                            
COMPND  19 SYNONYM: CELLULAR ONCOGENE FOS, G0/G1 SWITCH REGULATORY              
COMPND  20 PROTEIN 7;                                                           
COMPND  21 ENGINEERED: YES;                                                     
COMPND  22 MOL_ID: 5;                                                           
COMPND  23 MOLECULE: TRANSCRIPTION FACTOR AP-1;                                 
COMPND  24 CHAIN: E;                                                            
COMPND  25 SYNONYM: ACTIVATOR PROTEIN 1, AP1, PROTO-ONCOGENE C-JUN, V-          
COMPND  26 JUN AVIAN SARCOMA VIRUS 17 ONCOGENE HOMOLOG, P39;                    
COMPND  27 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: SOLID PHASE SYNTHESIS;                                
SOURCE   4 MOL_ID: 2;                                                           
SOURCE   5 SYNTHETIC: YES;                                                      
SOURCE   6 OTHER_DETAILS: SOLID PHASE SYNTHESIS;                                
SOURCE   7 MOL_ID: 3;                                                           
SOURCE   8 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   9 ORGANISM_COMMON: HUMAN;                                              
SOURCE  10 ORGANISM_TAXID: 9606;                                                
SOURCE  11 GENE: NFATC2, NFAT1, NFATP;                                          
SOURCE  12 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  13 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  14 MOL_ID: 4;                                                           
SOURCE  15 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  16 ORGANISM_COMMON: HUMAN;                                              
SOURCE  17 ORGANISM_TAXID: 9606;                                                
SOURCE  18 GENE: FOS, G0S7;                                                     
SOURCE  19 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  20 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  21 MOL_ID: 5;                                                           
SOURCE  22 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  23 ORGANISM_COMMON: HUMAN;                                              
SOURCE  24 ORGANISM_TAXID: 9606;                                                
SOURCE  25 GENE: JUN;                                                           
SOURCE  26 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  27 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    BETA BARREL, PROTEIN-DNA COMPLEX, DOUBLE HELIX, TERNARY,              
KEYWDS   2 COMPLEX, B-ZIP, BASIC LEUCINE ZIPPER, COILED COIL,                   
KEYWDS   3 TRANSCRIPTION/DNA COMPLEX                                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    D.WANG,J.C.STROUD,L.CHEN                                              
REVDAT   2   24-FEB-09 1S9K    1       VERSN                                    
REVDAT   1   14-JUN-05 1S9K    0                                                
JRNL        AUTH   D.WANG,J.C.STROUD,L.CHEN                                     
JRNL        TITL   CRYSTAL STRUCTURE OF HUMAN NFAT1 AND FOS-JUN ON              
JRNL        TITL 2 THE IL-2 ARRE1 SITE                                          
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.10 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) : 3.10                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 30.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 2.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : 14356                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE            (WORKING SET) : 0.242                           
REMARK   3   FREE R VALUE                     : 0.275                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : 1443                            
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) : NULL                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
REMARK   3   BIN FREE R VALUE                    : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
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            : 3073                                    
REMARK   3   NUCLEIC ACID ATOMS       : 814                                     
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 0                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 10.52200                                             
REMARK   3    B22 (A**2) : -19.39700                                            
REMARK   3    B33 (A**2) : 8.87500                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : -1.97800                                             
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : NULL                            
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 : NULL                                      
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 3.710 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 6.155 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 5.488 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 9.203 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   KSOL        : 0.26                                                 
REMARK   3   BSOL        : 18.26                                                
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  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1S9K COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-FEB-04.                  
REMARK 100 THE RCSB ID CODE IS RCSB021538.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 16-SEP-96                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : NSLS                               
REMARK 200  BEAMLINE                       : X12C                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.1                                
REMARK 200  MONOCHROMATOR                  : SYNCHROTRON                        
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : BRANDEIS - B4                      
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 16172                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.100                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.9                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.10                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.20                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 71.4                               
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: CNS                                                   
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 68.16                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.86                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 300-400 MM AMMONIUM ACETATE SALT,        
REMARK 280  PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 289K             
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,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       43.13000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC                        
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 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 C 478    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ILE C 479    CG1  CG2  CD1                                       
REMARK 470     THR C 480    OG1  CG2                                            
REMARK 470     THR C 483    OG1  CG2                                            
REMARK 470     VAL C 484    CG1  CG2                                            
REMARK 470     THR C 485    OG1  CG2                                            
REMARK 470     ASP C 629    CG   OD1  OD2                                       
REMARK 470     LYS C 630    CG   CD   CE   NZ                                   
REMARK 470     ASP C 631    CG   OD1  OD2                                       
REMARK 470     LYS C 632    CG   CD   CE   NZ                                   
REMARK 470     SER C 633    OG                                                  
REMARK 470     GLN C 634    CG   CD   OE1  NE2                                  
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    CYS D 154   CB    CYS D 154   SG     -0.386                       
REMARK 500    CYS E 279   CB    CYS E 279   SG     -0.403                       
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 B5011   O4' -  C1' -  N1  ANGL. DEV. =   1.8 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 C 408     -119.63   -113.84                                   
REMARK 500    GLU C 409      123.84    173.74                                   
REMARK 500    HIS C 420       85.52   -168.78                                   
REMARK 500    THR C 426       20.59    -78.97                                   
REMARK 500    VAL C 433      134.14    -34.46                                   
REMARK 500    ALA C 463     -127.62   -132.71                                   
REMARK 500    ASP C 464     -167.49     49.83                                   
REMARK 500    GLU C 465       41.97    -96.24                                   
REMARK 500    THR C 480      -86.53    -48.82                                   
REMARK 500    THR C 485       97.65    -53.76                                   
REMARK 500    VAL C 493     -136.69   -131.64                                   
REMARK 500    ASP C 514       34.06   -146.35                                   
REMARK 500    GLU C 527      -10.04    -43.35                                   
REMARK 500    LYS C 538       -4.38     67.13                                   
REMARK 500    MET C 579      124.11   -170.28                                   
REMARK 500    CYS C 588      174.91    177.46                                   
REMARK 500    VAL C 590      -37.50    -21.90                                   
REMARK 500    ASN C 602       30.53     76.31                                   
REMARK 500    THR C 604     -146.43   -117.38                                   
REMARK 500    ASP C 629       91.10    -57.56                                   
REMARK 500    SER C 633     -175.92   -170.63                                   
REMARK 500    PRO C 635      -82.44    -62.07                                   
REMARK 500    MET C 637      123.33   -177.89                                   
REMARK 500    LYS D 153      -71.97    -51.25                                   
REMARK 500    LYS D 190      -75.08    -48.59                                   
REMARK 500    GLU D 191       80.04    -60.48                                   
REMARK 500    LYS E 268        1.19    -51.38                                   
REMARK 500    ALA E 275      -74.38    -60.29                                   
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     DC B5009         0.06    SIDE_CHAIN                              
REMARK 500     DA B5014         0.06    SIDE_CHAIN                              
REMARK 500     DT B5016         0.10    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1A02   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF THE DNA BINDING DOMAINS OF NFAT, FOS AND JUN            
REMARK 900 BOUND TO DNA                                                         
REMARK 900 RELATED ID: 1IMH   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF HUMAN NFAT1 BOUND MONOMERICALLY TO DNA          
REMARK 900 RELATED ID: 1A66   RELATED DB: PDB                                   
REMARK 900 SOLUTION NMR STRUCTURE OF THE CORE NFATC1/DNA COMPLEX                
REMARK 900 RELATED ID: 1FOS   RELATED DB: PDB                                   
REMARK 900 C-JUN PROTO-ONCOGENE (TRANSCRIPTION FACTOR AP-1) DIMERIZED           
REMARK 900 WITH C-FOS AND COMPLEXED WITH DNA                                    
DBREF  1S9K C  399   678  UNP    Q13469   NFAC2_HUMAN    399    678             
DBREF  1S9K D  140   192  UNP    P01100   FOS_HUMAN      140    192             
DBREF  1S9K E  267   318  UNP    P05412   JUN_HUMAN      257    308             
DBREF  1S9K A 4001  4020  PDB    1S9K     1S9K          4001   4020             
DBREF  1S9K B 5001  5020  PDB    1S9K     1S9K          5001   5020             
SEQRES   1 A   20   DT  DT  DT  DG  DA  DA  DA  DA  DT  DA  DT  DG  DT          
SEQRES   2 A   20   DG  DT  DA  DA  DT  DA  DG                                  
SEQRES   1 B   20   DA  DA  DC  DT  DA  DT  DT  DA  DC  DA  DC  DA  DT          
SEQRES   2 B   20   DA  DT  DT  DT  DT  DC  DA                                  
SEQRES   1 C  280  TRP PRO LEU SER SER GLN SER GLY SER TYR GLU LEU ARG          
SEQRES   2 C  280  ILE GLU VAL GLN PRO LYS PRO HIS HIS ARG ALA HIS TYR          
SEQRES   3 C  280  GLU THR GLU GLY SER ARG GLY ALA VAL LYS ALA PRO THR          
SEQRES   4 C  280  GLY GLY HIS PRO VAL VAL GLN LEU HIS GLY TYR MET GLU          
SEQRES   5 C  280  ASN LYS PRO LEU GLY LEU GLN ILE PHE ILE GLY THR ALA          
SEQRES   6 C  280  ASP GLU ARG ILE LEU LYS PRO HIS ALA PHE TYR GLN VAL          
SEQRES   7 C  280  HIS ARG ILE THR GLY LYS THR VAL THR THR THR SER TYR          
SEQRES   8 C  280  GLU LYS ILE VAL GLY ASN THR LYS VAL LEU GLU ILE PRO          
SEQRES   9 C  280  LEU GLU PRO LYS ASN ASN MET ARG ALA THR ILE ASP CYS          
SEQRES  10 C  280  ALA GLY ILE LEU LYS LEU ARG ASN ALA ASP ILE GLU LEU          
SEQRES  11 C  280  ARG LYS GLY GLU THR ASP ILE GLY ARG LYS ASN THR ARG          
SEQRES  12 C  280  VAL ARG LEU VAL PHE ARG VAL HIS ILE PRO GLU SER SER          
SEQRES  13 C  280  GLY ARG ILE VAL SER LEU GLN THR ALA SER ASN PRO ILE          
SEQRES  14 C  280  GLU CYS SER GLN ARG SER ALA HIS GLU LEU PRO MET VAL          
SEQRES  15 C  280  GLU ARG GLN ASP THR ASP SER CYS LEU VAL TYR GLY GLY          
SEQRES  16 C  280  GLN GLN MET ILE LEU THR GLY GLN ASN PHE THR SER GLU          
SEQRES  17 C  280  SER LYS VAL VAL PHE THR GLU LYS THR THR ASP GLY GLN          
SEQRES  18 C  280  GLN ILE TRP GLU MET GLU ALA THR VAL ASP LYS ASP LYS          
SEQRES  19 C  280  SER GLN PRO ASN MET LEU PHE VAL GLU ILE PRO GLU TYR          
SEQRES  20 C  280  ARG ASN LYS HIS ILE ARG THR PRO VAL LYS VAL ASN PHE          
SEQRES  21 C  280  TYR VAL ILE ASN GLY LYS ARG LYS ARG SER GLN PRO GLN          
SEQRES  22 C  280  HIS PHE THR TYR HIS PRO VAL                                  
SEQRES   1 D   53  ARG ARG ILE ARG ARG GLU ARG ASN LYS MET ALA ALA ALA          
SEQRES   2 D   53  LYS CYS ARG ASN ARG ARG ARG GLU LEU THR ASP THR LEU          
SEQRES   3 D   53  GLN ALA GLU THR ASP GLN LEU GLU ASP GLU LYS SER ALA          
SEQRES   4 D   53  LEU GLN THR GLU ILE ALA ASN LEU LEU LYS GLU LYS GLU          
SEQRES   5 D   53  LYS                                                          
SEQRES   1 E   52  ARG LYS ARG MET ARG ASN ARG ILE ALA ALA SER LYS CYS          
SEQRES   2 E   52  ARG LYS ARG LYS LEU GLU ARG ILE ALA ARG LEU GLU GLU          
SEQRES   3 E   52  LYS VAL LYS THR LEU LYS ALA GLN ASN SER GLU LEU ALA          
SEQRES   4 E   52  SER THR ALA ASN MET LEU ARG GLU GLN VAL ALA GLN LEU          
HELIX    1   1 GLU C  504  ASN C  508  5                                   5    
HELIX    2   2 ARG C  522  GLU C  527  1                                   6    
HELIX    3   3 SER C  570  LEU C  577  1                                   8    
HELIX    4   4 ARG D  141  GLU D  191  1                                  51    
HELIX    5   5 LYS E  268  ALA E  316  1                                  49    
SHEET    1   A 3 GLU C 409  VAL C 414  0                                        
SHEET    2   A 3 VAL C 442  HIS C 446 -1  O  HIS C 446   N  GLU C 409           
SHEET    3   A 3 ARG C 510  THR C 512 -1  O  ALA C 511   N  VAL C 443           
SHEET    1   B 5 LYS C 491  ILE C 492  0                                        
SHEET    2   B 5 VAL C 498  LEU C 503 -1  O  VAL C 498   N  ILE C 492           
SHEET    3   B 5 LEU C 454  GLY C 461 -1  N  ILE C 458   O  LEU C 499           
SHEET    4   B 5 ARG C 541  PRO C 551 -1  O  VAL C 545   N  PHE C 459           
SHEET    5   B 5 ILE C 557  ALA C 563 -1  O  THR C 562   N  PHE C 546           
SHEET    1   C 5 LYS C 491  ILE C 492  0                                        
SHEET    2   C 5 VAL C 498  LEU C 503 -1  O  VAL C 498   N  ILE C 492           
SHEET    3   C 5 LEU C 454  GLY C 461 -1  N  ILE C 458   O  LEU C 499           
SHEET    4   C 5 ARG C 541  PRO C 551 -1  O  VAL C 545   N  PHE C 459           
SHEET    5   C 5 ILE C 567  GLU C 568 -1  O  ILE C 567   N  VAL C 542           
SHEET    1   D 2 TYR C 474  ARG C 478  0                                        
SHEET    2   D 2 ALA C 516  LYS C 520 -1  O  GLY C 517   N  HIS C 477           
SHEET    1   E 8 MET C 579  GLN C 583  0                                        
SHEET    2   E 8 GLN C 595  GLN C 601 -1  O  THR C 599   N  ARG C 582           
SHEET    3   E 8 MET C 637  GLU C 641 -1  O  VAL C 640   N  MET C 596           
SHEET    4   E 8 GLN C 620  VAL C 628 -1  N  THR C 627   O  GLU C 641           
SHEET    5   E 8 LYS C 608  LYS C 614 -1  N  GLU C 613   O  ILE C 621           
SHEET    6   E 8 VAL C 654  ILE C 661 -1  O  ASN C 657   N  THR C 612           
SHEET    7   E 8 GLN C 671  HIS C 676 -1  O  PHE C 673   N  VAL C 656           
SHEET    8   E 8 SER C 587  LEU C 589  1  N  CYS C 588   O  HIS C 676           
CRYST1   64.769   86.260   84.044  90.00 111.24  90.00 P 1 21 1      2          
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      0.015439  0.000000  0.006001        0.00000                         
SCALE2      0.000000  0.011593  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.012766        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system