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Database: PDB
Entry: 2KB9
LinkDB: 2KB9
Original site: 2KB9 
HEADER    PROTEIN BINDING                         24-NOV-08   2KB9              
TITLE     HUMAN JAGGED-1, EXON 6                                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: JAGGED-1;                                                  
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 252-295;                                          
COMPND   5 SYNONYM: JAGGED1, HJ1;                                               
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THE PROTEIN IS NATURALLY FOUND IN HOMO                
SOURCE   4 SAPIENS (HUMAN). THE PROTEIN INCLUDES THE C-TERMINAL PART            
SOURCE   5 OF THE EGF1 DOMAIN AND THE ENTIRE EGF2 DOMAIN.                       
KEYWDS    NOTCH SIGNALING, EGF, CALCIUM, DEVELOPMENTAL PROTEIN,                 
KEYWDS   2 DISEASE MUTATION, EGF-LIKE DOMAIN, GLYCOPROTEIN, MEMBRANE,           
KEYWDS   3 NOTCH SIGNALING PATHWAY, POLYMORPHISM, TRANSMEMBRANE,                
KEYWDS   4 PROTEIN BINDING                                                      
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    A.PINTAR,C.GUARNACCIA,S.PONGOR                                        
REVDAT   1   28-JUL-09 2KB9    0                                                
JRNL        AUTH   A.PINTAR,C.GUARNACCIA,S.DHIR,S.PONGOR                        
JRNL        TITL   EXON 6 OF HUMAN JAG1 ENCODES A CONSERVED STRUCTURAL          
JRNL        TITL 2 UNIT                                                         
JRNL        REF    BMC STRUCT.BIOL.              V.   9    43 2009              
JRNL        REFN                   ESSN 1472-6807                               
JRNL        PMID   19586525                                                     
JRNL        DOI    10.1186/1472-6807-9-43                                       
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   C.GUARNACCIA,A.PINTAR,S.PONGOR                               
REMARK   1  TITL   EXON 6 OF HUMAN JAGGED-1 ENCODES AN AUTONOMOUSLY             
REMARK   1  TITL 2 FOLDING UNIT                                                 
REMARK   1  REF    FEBS LETT.                    V. 574   156 2004              
REMARK   1  REFN                   ISSN 0014-5793                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 2.1                                            
REMARK   3   AUTHORS     : GUNTERT P.                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2KB9 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-NOV-08.                  
REMARK 100 THE RCSB ID CODE IS RCSB100906.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 4.5                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.5 MM PROTEIN, 90% H2O/10%        
REMARK 210                                   D2O; 0.5 MM PROTEIN, 100% D2O      
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H COSY; 2D 1H-1H            
REMARK 210                                   TOCSY; 2D 1H-1H NOESY              
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION                    
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
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  1 CYS A   2      143.09   -174.84                                   
REMARK 500  1 GLN A   3      -42.29   -166.44                                   
REMARK 500  1 TYR A  10      -74.18   -135.89                                   
REMARK 500  1 CYS A  11       89.25   -179.25                                   
REMARK 500  1 ASP A  12       47.14   -162.53                                   
REMARK 500  1 ILE A  15       77.40     51.80                                   
REMARK 500  1 PRO A  18       83.23    -69.76                                   
REMARK 500  1 TRP A  29       69.76     60.97                                   
REMARK 500  1 CYS A  42       72.90     57.33                                   
REMARK 500  2 GLN A   3      -46.76   -141.99                                   
REMARK 500  2 TYR A  10      -63.78   -153.30                                   
REMARK 500  2 CYS A  11      108.60   -174.79                                   
REMARK 500  2 ASP A  12      -36.14   -177.44                                   
REMARK 500  2 ILE A  15       77.55     53.79                                   
REMARK 500  2 PRO A  18       82.63    -69.73                                   
REMARK 500  2 TRP A  29       85.03     63.23                                   
REMARK 500  3 CYS A   2       78.46     56.67                                   
REMARK 500  3 GLN A   3      -43.37   -165.46                                   
REMARK 500  3 TYR A  10      -70.32   -154.00                                   
REMARK 500  3 CYS A  11      117.79   -178.69                                   
REMARK 500  3 ASP A  12      -40.34   -165.54                                   
REMARK 500  3 ILE A  15       77.43     52.33                                   
REMARK 500  3 PRO A  18       83.22    -69.78                                   
REMARK 500  3 TRP A  29       68.88     61.42                                   
REMARK 500  4 CYS A  11       86.65     52.69                                   
REMARK 500  4 ASP A  12       45.47   -143.30                                   
REMARK 500  4 LYS A  13      127.28   -171.94                                   
REMARK 500  4 ILE A  15       77.39     51.78                                   
REMARK 500  4 PRO A  18       82.89    -69.79                                   
REMARK 500  4 TRP A  29       79.63     59.99                                   
REMARK 500  5 GLN A   3      -74.50   -130.52                                   
REMARK 500  5 ILE A  15       77.38     52.25                                   
REMARK 500  5 PRO A  18       83.14    -69.74                                   
REMARK 500  5 TRP A  29       80.65     60.01                                   
REMARK 500  6 CYS A   2       75.46   -116.78                                   
REMARK 500  6 TRP A   6       85.39   -151.61                                   
REMARK 500  6 CYS A  11       88.87     56.60                                   
REMARK 500  6 ASP A  12       26.56   -151.31                                   
REMARK 500  6 ILE A  15       77.51     51.79                                   
REMARK 500  6 PRO A  18       82.59    -69.74                                   
REMARK 500  6 TRP A  29       71.08     61.82                                   
REMARK 500  7 TYR A   4       96.26   -174.96                                   
REMARK 500  7 CYS A  11       69.70     63.07                                   
REMARK 500  7 ILE A  15       77.48     53.24                                   
REMARK 500  7 PRO A  18       82.30    -69.74                                   
REMARK 500  7 CYS A  25      144.06   -170.74                                   
REMARK 500  7 TRP A  29       71.43     63.16                                   
REMARK 500  8 TRP A   6       65.59   -153.19                                   
REMARK 500  8 CYS A  11       72.35     52.08                                   
REMARK 500  8 ILE A  15       77.41     51.66                                   
REMARK 500  8 PRO A  18       83.01    -69.73                                   
REMARK 500  8 VAL A  21      -45.68   -132.41                                   
REMARK 500  8 CYS A  42       69.17     63.21                                   
REMARK 500  9 GLN A   3      -58.18   -172.26                                   
REMARK 500  9 LEU A   9      -60.21   -100.49                                   
REMARK 500  9 CYS A  11       88.29     51.97                                   
REMARK 500  9 ASP A  12       27.26   -155.56                                   
REMARK 500  9 ILE A  15       77.43     52.19                                   
REMARK 500  9 PRO A  18       83.21    -69.78                                   
REMARK 500  9 TRP A  29       72.47     62.15                                   
REMARK 500  9 CYS A  42       89.40     58.24                                   
REMARK 500 10 GLN A   3       29.34   -161.88                                   
REMARK 500 10 TYR A   4      114.26   -174.14                                   
REMARK 500 10 TYR A  10      -54.13   -155.43                                   
REMARK 500 10 CYS A  11      107.07   -167.30                                   
REMARK 500 10 ASP A  12      -38.95   -175.01                                   
REMARK 500 10 ILE A  15       77.39     51.82                                   
REMARK 500 10 PRO A  18       83.45    -69.84                                   
REMARK 500 10 TRP A  37     -179.16    -64.73                                   
REMARK 500 10 CYS A  42       95.25     58.40                                   
REMARK 500 11 GLN A   3      -36.61   -175.48                                   
REMARK 500 11 CYS A  11       47.50    -92.04                                   
REMARK 500 11 ILE A  15       77.50     51.75                                   
REMARK 500 11 PRO A  18       83.24    -69.71                                   
REMARK 500 11 CYS A  20     -173.90   -176.55                                   
REMARK 500 11 VAL A  21      -52.72   -128.50                                   
REMARK 500 11 TRP A  29       60.72     63.06                                   
REMARK 500 11 CYS A  42       72.09     52.80                                   
REMARK 500 12 GLN A   3      -40.43   -161.98                                   
REMARK 500 12 ILE A  15       77.35     51.70                                   
REMARK 500 12 PRO A  18       83.17    -69.72                                   
REMARK 500 12 CYS A  20     -170.09   -179.47                                   
REMARK 500 12 VAL A  21      -48.64   -135.34                                   
REMARK 500 12 TRP A  37      -56.58   -136.98                                   
REMARK 500 13 GLN A   3      -62.98   -148.98                                   
REMARK 500 13 TYR A  10      -67.46   -152.49                                   
REMARK 500 13 CYS A  11      104.24   -172.75                                   
REMARK 500 13 ASP A  12      -37.09   -175.34                                   
REMARK 500 13 ILE A  15       77.57     51.70                                   
REMARK 500 13 PRO A  18       83.05    -69.81                                   
REMARK 500 13 CYS A  20     -177.51   -176.87                                   
REMARK 500 13 VAL A  21      -53.82   -123.24                                   
REMARK 500 14 CYS A   2       71.20   -164.23                                   
REMARK 500 14 TYR A   4       99.36     60.25                                   
REMARK 500 14 ASP A  12      -35.02   -179.23                                   
REMARK 500 14 ILE A  15       77.00     54.25                                   
REMARK 500 14 PRO A  18       83.19    -69.78                                   
REMARK 500 15 GLN A   3     -177.64   -178.71                                   
REMARK 500 15 CYS A  11       83.18     61.62                                   
REMARK 500 15 ASP A  12       33.49   -163.39                                   
REMARK 500 15 ILE A  15       77.51     51.88                                   
REMARK 500 15 PRO A  18       82.92    -69.77                                   
REMARK 500 15 CYS A  20     -174.21   -176.58                                   
REMARK 500 15 VAL A  21      -49.76   -131.39                                   
REMARK 500 15 TRP A  29       74.87     63.09                                   
REMARK 500 16 GLN A   3      -59.06   -170.75                                   
REMARK 500 16 ILE A  15       77.44     51.63                                   
REMARK 500 16 PRO A  18       83.01    -69.76                                   
REMARK 500 16 CYS A  20     -173.17   -179.42                                   
REMARK 500 16 VAL A  21      -60.52   -125.51                                   
REMARK 500 16 TRP A  29       68.35     62.58                                   
REMARK 500 16 TRP A  37      -62.01   -139.31                                   
REMARK 500 17 GLN A   3       51.11   -149.02                                   
REMARK 500 17 TYR A  10      -73.91   -140.99                                   
REMARK 500 17 CYS A  11      113.02   -174.17                                   
REMARK 500 17 ASP A  12      -35.83   -177.47                                   
REMARK 500 17 ILE A  15       77.54     53.60                                   
REMARK 500 17 PRO A  18       83.10    -69.73                                   
REMARK 500 17 VAL A  21      -67.11   -128.29                                   
REMARK 500 17 CYS A  25      146.33   -174.28                                   
REMARK 500 17 TRP A  29       80.80     63.45                                   
REMARK 500 17 CYS A  42       70.49     52.55                                   
REMARK 500 18 GLN A   3       41.50   -174.92                                   
REMARK 500 18 TYR A   4      105.97   -172.19                                   
REMARK 500 18 TYR A  10      -70.71   -147.41                                   
REMARK 500 18 CYS A  11      111.57   -166.87                                   
REMARK 500 18 ASP A  12      -35.42   -178.51                                   
REMARK 500 18 ILE A  15       77.28     53.95                                   
REMARK 500 18 PRO A  18       83.18    -69.71                                   
REMARK 500 18 VAL A  21      -56.46   -129.88                                   
REMARK 500 18 CYS A  25      147.85   -171.10                                   
REMARK 500 18 TRP A  29       77.46     63.27                                   
REMARK 500 18 TRP A  37      -70.46    -72.96                                   
REMARK 500 19 GLN A   3       57.47   -143.04                                   
REMARK 500 19 TYR A   4      110.47   -169.49                                   
REMARK 500 19 TRP A   6       83.08   -154.47                                   
REMARK 500 19 LEU A   9      -53.81   -129.05                                   
REMARK 500 19 ILE A  15       77.31     53.63                                   
REMARK 500 19 PRO A  18       83.25    -69.78                                   
REMARK 500 19 VAL A  21      -54.95   -134.04                                   
REMARK 500 19 CYS A  25      145.30   -173.63                                   
REMARK 500 19 TRP A  29       80.52     63.25                                   
REMARK 500 19 CYS A  31       99.92   -160.39                                   
REMARK 500 20 ILE A  15       77.00     54.10                                   
REMARK 500 20 PRO A  18       79.12    -69.79                                   
REMARK 500 20 CYS A  25      145.73   -170.35                                   
REMARK 500 20 TRP A  29       83.55     63.51                                   
REMARK 500 20 CYS A  33     -176.96   -174.04                                   
REMARK 500 20 CYS A  42       86.97     51.80                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2VJ2   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF DSL/EGF1/EGF2/EGF3                              
DBREF  2KB9 A    1    44  UNP    P78504   JAG1_HUMAN     252    295             
SEQRES   1 A   44  ARG CYS GLN TYR GLY TRP GLN GLY LEU TYR CYS ASP LYS          
SEQRES   2 A   44  CYS ILE PRO HIS PRO GLY CYS VAL HIS GLY ILE CYS ASN          
SEQRES   3 A   44  GLU PRO TRP GLN CYS LEU CYS GLU THR ASN TRP GLY GLY          
SEQRES   4 A   44  GLN LEU CYS ASP LYS                                          
SSBOND   1 CYS A    2    CYS A   11                          1555   1555  2.10  
SSBOND   2 CYS A   14    CYS A   25                          1555   1555  2.00  
SSBOND   3 CYS A   20    CYS A   31                          1555   1555  2.03  
SSBOND   4 CYS A   33    CYS A   42                          1555   1555  2.06  
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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