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Database: PDB
Entry: 1YVJ
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HEADER    TRANSFERASE                             15-FEB-05   1YVJ              
TITLE     CRYSTAL STRUCTURE OF THE JAK3 KINASE DOMAIN IN COMPLEX WITH           
TITLE    2 A STAUROSPORINE ANALOGUE                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TYROSINE-PROTEIN KINASE JAK3;                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: JANUS KINASE 3; JAK-3; JAK3; LEUKOCYTE JANUS                
COMPND   5 KINASE; L-JAK;                                                       
COMPND   6 EC: 2.7.1.112;                                                       
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: JAK3;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID                               
KEYWDS    TYROSINE KINASE; SCID; SEVERE COMBINED IMMUNODEFICIENCY;              
KEYWDS   2 STAT5; STAT6; INTERLEUKIN-2; COMMON-GAMMA CHAIN, TRANSFERASE         
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    T.J.BOGGON,Y.LI,P.W.MANLEY,M.J.ECK                                    
REVDAT   3   24-FEB-09 1YVJ    1       VERSN                                    
REVDAT   2   16-AUG-05 1YVJ    1       JRNL                                     
REVDAT   1   24-MAY-05 1YVJ    0                                                
JRNL        AUTH   T.J.BOGGON,Y.LI,P.W.MANLEY,M.J.ECK                           
JRNL        TITL   CRYSTAL STRUCTURE OF THE JAK3 KINASE DOMAIN IN               
JRNL        TITL 2 COMPLEX WITH A STAUROSPORINE ANALOG                          
JRNL        REF    BLOOD                         V. 106   996 2005              
JRNL        REFN                   ISSN 0006-4971                               
JRNL        PMID   15831699                                                     
JRNL        DOI    10.1182/BLOOD-2005-02-0707                                   
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.55 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
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) : 2.55                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 24.97                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 1132120.950                    
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 97.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 9913                           
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) : 0.204                           
REMARK   3   FREE R VALUE                     : 0.254                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.900                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 481                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.012                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 10                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.55                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.64                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 86.70                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 812                          
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3320                       
REMARK   3   BIN FREE R VALUE                    : 0.4710                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 5.00                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 43                           
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.072                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2359                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 51                                      
REMARK   3   SOLVENT ATOMS            : 165                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 56.40                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 31.10                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 7.98000                                              
REMARK   3    B22 (A**2) : -1.29000                                             
REMARK   3    B33 (A**2) : -6.69000                                             
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) : 0.29                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.34                            
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) : 0.37                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.45                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.011                           
REMARK   3   BOND ANGLES            (DEGREES) : 2.30                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 22.90                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.46                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 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 : FLAT MODEL                                           
REMARK   3   KSOL        : 0.36                                                 
REMARK   3   BSOL        : 43.06                                                
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 1YVJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-MAR-05.                  
REMARK 100 THE RCSB ID CODE IS RCSB031967.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 01-DEC-04                          
REMARK 200  TEMPERATURE           (KELVIN) : 173                                
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU RU300                       
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : OSMIC CONFOCAL MAX-FLUX            
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9949                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.550                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 24.970                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 9.200                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.9                               
REMARK 200  DATA REDUNDANCY                : 3.100                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.11000                            
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) : 2.55                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.64                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 97.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.10                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.57000                            
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: PHASER                                                
REMARK 200 STARTING MODEL: 1M17                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 45.11                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.24                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: MALONATE, GLYCEROL, PIPES, PH 6.0,       
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       23.15350            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       59.30350            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       27.10750            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       59.30350            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       23.15350            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       27.10750            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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 A 866    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A 897    CG   CD   OE1  OE2                                  
REMARK 470     ARG A1103    CG   CD   NE   CZ   NH1  NH2                        
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   NH1  ARG A   944     O    HOH A  2054              1.70            
REMARK 500   O    GLU A   819     O    HOH A  2158              1.71            
REMARK 500   OH   TYR A   891     O    HOH A  2139              1.76            
REMARK 500   OE2  GLU A   960     O    HOH A  2064              1.89            
REMARK 500   O2P  PTR A   980     O    HOH A  2143              1.92            
REMARK 500   OD1  ASP A   979     O    HOH A  2054              1.92            
REMARK 500   NZ   LYS A   978     O    HOH A  2038              1.97            
REMARK 500   OG   SER A  1008     O    HOH A  2034              2.00            
REMARK 500   O    HOH A  2037     O    HOH A  2046              2.03            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O    HOH A  2145     O    HOH A  2156     4545     1.95            
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    GLY A 894   N   -  CA  -  C   ANGL. DEV. = -26.4 DEGREES          
REMARK 500    PRO A 896   C   -  N   -  CA  ANGL. DEV. =  52.7 DEGREES          
REMARK 500    PRO A 896   C   -  N   -  CD  ANGL. DEV. = -46.0 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    ASP A 863      -53.53   -167.43                                   
REMARK 500    TYR A 891       82.50    -64.94                                   
REMARK 500    PRO A 893       49.02    -35.73                                   
REMARK 500    ARG A 895     -158.75    -94.89                                   
REMARK 500    PRO A 896       22.61    110.36                                   
REMARK 500    ARG A 918      -29.55    -38.79                                   
REMARK 500    ALA A 919      -87.08    -75.61                                   
REMARK 500    ARG A 920      -31.46    -30.42                                   
REMARK 500    ARG A 948      -34.81     74.88                                   
REMARK 500    HIS A 962      114.72   -160.42                                   
REMARK 500    ASP A 967       98.04     48.83                                   
REMARK 500    PRO A 990      152.52    -47.00                                   
REMARK 500    CYS A1040     -104.79   -152.20                                   
REMARK 500    GLU A1041      -68.99    -24.38                                   
REMARK 500    ARG A1042      -89.34    168.13                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A2101        DISTANCE =  5.42 ANGSTROMS                       
REMARK 525    HOH A2109        DISTANCE =  5.14 ANGSTROMS                       
REMARK 525    HOH A2119        DISTANCE =  5.28 ANGSTROMS                       
REMARK 525    HOH A2122        DISTANCE =  5.55 ANGSTROMS                       
REMARK 525    HOH A2153        DISTANCE =  5.51 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DTV A 2962                
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DTV A 2963                
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 4ST A 2000                
DBREF  1YVJ A  814  1103  UNP    P52333   JAK3_HUMAN     814   1103             
SEQADV 1YVJ ARG A  895  UNP  P52333    GLU   895 CONFLICT                       
SEQADV 1YVJ PTR A  980  UNP  P52333    TYR   980 MODIFIED RESIDUE               
SEQADV 1YVJ PTR A  981  UNP  P52333    TYR   981 MODIFIED RESIDUE               
SEQRES   1 A  290  PRO THR ILE PHE GLU GLU ARG HIS LEU LYS TYR ILE SER          
SEQRES   2 A  290  GLN LEU GLY LYS GLY ASN PHE GLY SER VAL GLU LEU CYS          
SEQRES   3 A  290  ARG TYR ASP PRO LEU GLY ASP ASN THR GLY ALA LEU VAL          
SEQRES   4 A  290  ALA VAL LYS GLN LEU GLN HIS SER GLY PRO ASP GLN GLN          
SEQRES   5 A  290  ARG ASP PHE GLN ARG GLU ILE GLN ILE LEU LYS ALA LEU          
SEQRES   6 A  290  HIS SER ASP PHE ILE VAL LYS TYR ARG GLY VAL SER TYR          
SEQRES   7 A  290  GLY PRO GLY ARG PRO GLU LEU ARG LEU VAL MET GLU TYR          
SEQRES   8 A  290  LEU PRO SER GLY CYS LEU ARG ASP PHE LEU GLN ARG HIS          
SEQRES   9 A  290  ARG ALA ARG LEU ASP ALA SER ARG LEU LEU LEU TYR SER          
SEQRES  10 A  290  SER GLN ILE CYS LYS GLY MET GLU TYR LEU GLY SER ARG          
SEQRES  11 A  290  ARG CYS VAL HIS ARG ASP LEU ALA ALA ARG ASN ILE LEU          
SEQRES  12 A  290  VAL GLU SER GLU ALA HIS VAL LYS ILE ALA ASP PHE GLY          
SEQRES  13 A  290  LEU ALA LYS LEU LEU PRO LEU ASP LYS ASP PTR PTR VAL          
SEQRES  14 A  290  VAL ARG GLU PRO GLY GLN SER PRO ILE PHE TRP TYR ALA          
SEQRES  15 A  290  PRO GLU SER LEU SER ASP ASN ILE PHE SER ARG GLN SER          
SEQRES  16 A  290  ASP VAL TRP SER PHE GLY VAL VAL LEU TYR GLU LEU PHE          
SEQRES  17 A  290  THR TYR CYS ASP LYS SER CYS SER PRO SER ALA GLU PHE          
SEQRES  18 A  290  LEU ARG MET MET GLY CYS GLU ARG ASP VAL PRO ALA LEU          
SEQRES  19 A  290  CYS ARG LEU LEU GLU LEU LEU GLU GLU GLY GLN ARG LEU          
SEQRES  20 A  290  PRO ALA PRO PRO ALA CYS PRO ALA GLU VAL HIS GLU LEU          
SEQRES  21 A  290  MET LYS LEU CYS TRP ALA PRO SER PRO GLN ASP ARG PRO          
SEQRES  22 A  290  SER PHE SER ALA LEU GLY PRO GLN LEU ASP MET LEU TRP          
SEQRES  23 A  290  SER GLY SER ARG                                              
MODRES 1YVJ PTR A  980  TYR  O-PHOSPHOTYROSINE                                  
MODRES 1YVJ PTR A  981  TYR  O-PHOSPHOTYROSINE                                  
HET    PTR  A 980      16                                                       
HET    PTR  A 981      16                                                       
HET    DTV  A2962       8                                                       
HET    DTV  A2963       8                                                       
HET    4ST  A2000      35                                                       
HETNAM     PTR O-PHOSPHOTYROSINE                                                
HETNAM     DTV (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL                            
HETNAM     4ST 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE                              
HETSYN     PTR PHOSPHONOTYROSINE                                                
HETSYN     4ST AFN941                                                           
FORMUL   1  PTR    2(C9 H12 N O6 P)                                             
FORMUL   2  DTV    2(C4 H10 O2 S2)                                              
FORMUL   4  4ST    C28 H30 N4 O3                                                
FORMUL   5  HOH   *165(H2 O)                                                    
HELIX    1   1 GLU A  818  ARG A  820  5                                   3    
HELIX    2   2 ASP A  863  LEU A  878  1                                  16    
HELIX    3   3 CYS A  909  HIS A  917  1                                   9    
HELIX    4   4 ASP A  922  ARG A  943  1                                  22    
HELIX    5   5 ALA A  951  ARG A  953  5                                   3    
HELIX    6   6 PRO A  990  TYR A  994  5                                   5    
HELIX    7   7 ALA A  995  ASN A 1002  1                                   8    
HELIX    8   8 ARG A 1006  THR A 1022  1                                  17    
HELIX    9   9 SER A 1029  GLY A 1039  1                                  11    
HELIX   10  10 PRO A 1045  GLU A 1056  1                                  12    
HELIX   11  11 PRO A 1067  TRP A 1078  1                                  12    
HELIX   12  12 SER A 1081  ARG A 1085  5                                   5    
HELIX   13  13 SER A 1087  GLY A 1101  1                                  15    
SHEET    1   A 5 LEU A 822  LYS A 830  0                                        
SHEET    2   A 5 SER A 835  TYR A 841 -1  O  LEU A 838   N  ILE A 825           
SHEET    3   A 5 LEU A 851  GLN A 856 -1  O  VAL A 852   N  CYS A 839           
SHEET    4   A 5 ARG A 899  MET A 902 -1  O  MET A 902   N  ALA A 853           
SHEET    5   A 5 TYR A 886  VAL A 889 -1  N  ARG A 887   O  VAL A 901           
SHEET    1   B 2 CYS A 945  VAL A 946  0                                        
SHEET    2   B 2 LYS A 972  LEU A 973 -1  O  LYS A 972   N  VAL A 946           
SHEET    1   C 2 ILE A 955  SER A 959  0                                        
SHEET    2   C 2 HIS A 962  ILE A 965 -1  O  LYS A 964   N  LEU A 956           
SHEET    1   D 2 PTR A 980  VAL A 982  0                                        
SHEET    2   D 2 ILE A1003  SER A1005 -1  O  PHE A1004   N  PTR A 981           
LINK         C   ASP A 979                 N   PTR A 980     1555   1555  1.32  
LINK         C   PTR A 980                 N   PTR A 981     1555   1555  1.32  
LINK         C   PTR A 981                 N   VAL A 982     1555   1555  1.32  
SITE     1 AC1  5 PHE A 833  LYS A 855  ASP A 967  GLY A 969                    
SITE     2 AC1  5 GLN A 988                                                     
SITE     1 AC2  7 ARG A 943  LEU A 973  HOH A2094  HOH A2099                    
SITE     2 AC2  7 HOH A2116  HOH A2120  HOH A2146                               
SITE     1 AC3 15 LEU A 828  GLY A 829  VAL A 836  ALA A 853                    
SITE     2 AC3 15 HIS A 859  MET A 902  GLU A 903  TYR A 904                    
SITE     3 AC3 15 LEU A 905  GLY A 908  ARG A 911  ARG A 953                    
SITE     4 AC3 15 LEU A 956  ASP A 967  HOH A2052                               
CRYST1   46.307   54.215  118.607  90.00  90.00  90.00 P 21 21 21    4          
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      0.021595  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.018445  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008431        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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