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Database: PDB
Entry: 1H27
LinkDB: 1H27
Original site: 1H27 
HEADER    HYDROLASE/HYDROLASE INHIBITOR           31-JUL-02   1H27              
TITLE     CDK2/CYCLIN A IN COMPLEX WITH AN 11-RESIDUE RECRUITMENT PEPTIDE FROM  
TITLE    2 P27                                                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CELL DIVISION PROTEIN KINASE 2;                            
COMPND   3 CHAIN: A, C;                                                         
COMPND   4 SYNONYM: CYCLIN-DEPENDENT KINASE 2, P33 PROTEIN KINASE;              
COMPND   5 EC: 2.7.1.-;                                                         
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 OTHER_DETAILS: PHOSPHORYLATED ON THR160;                             
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: CYCLIN A2;                                                 
COMPND  10 CHAIN: B, D;                                                         
COMPND  11 FRAGMENT: CYCLIN FOLD, RESIDUES 175-432;                             
COMPND  12 SYNONYM: CYCLIN A;                                                   
COMPND  13 ENGINEERED: YES;                                                     
COMPND  14 MOL_ID: 3;                                                           
COMPND  15 MOLECULE: CYCLIN-DEPENDENT KINASE INHIBITOR 1B;                      
COMPND  16 CHAIN: E;                                                            
COMPND  17 FRAGMENT: RESIDUES 25-35;                                            
COMPND  18 SYNONYM: CYCLIN-DEPENDENT KINASE INHIBITOR P27, P27KIP1;             
COMPND  19 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: B834;                                      
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX;                                     
SOURCE   9 MOL_ID: 2;                                                           
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
SOURCE  12 ORGANISM_TAXID: 9606;                                                
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  15 EXPRESSION_SYSTEM_STRAIN: B834;                                      
SOURCE  16 EXPRESSION_SYSTEM_PLASMID: PET21D;                                   
SOURCE  17 MOL_ID: 3;                                                           
SOURCE  18 SYNTHETIC: YES;                                                      
SOURCE  19 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  20 ORGANISM_COMMON: HUMAN;                                              
SOURCE  21 ORGANISM_TAXID: 9606                                                 
KEYWDS    CELL CYCLE, PROTEIN KINASE, CYCLIN, CDK2, RECRUITMENT, PEPTIDE        
KEYWDS   2 SPECIFICITY, SERINE/THREONINE-PROTEIN KINASE, ATP-BINDING, CELL      
KEYWDS   3 DIVISION, MITOSIS, PHOSPHORYLATION, HYDROLASE-HYDROLASE INHIBITOR    
KEYWDS   4 COMPLEX                                                              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    I.TEWS,K.Y.CHENG,E.D.LOWE,M.E.M.NOBLE,N.R.BROWN,S.GUL,S.GAMBLIN,      
AUTHOR   2 L.N.JOHNSON                                                          
REVDAT   4   13-JUL-11 1H27    1       VERSN                                    
REVDAT   3   24-FEB-09 1H27    1       VERSN                                    
REVDAT   2   24-JUN-03 1H27    1       REMARK ATOM                              
REVDAT   1   01-FEB-03 1H27    0                                                
JRNL        AUTH   E.D.LOWE,I.TEWS,K.Y.CHENG,N.R.BROWN,S.GUL,M.E.M.NOBLE,       
JRNL        AUTH 2 S.GAMBLIN,L.N.JOHNSON                                        
JRNL        TITL   SPECIFICITY DETERMINANTS OF RECRUITMENT PEPTIDES BOUND TO    
JRNL        TITL 2 PHOSPHO-CDK2/CYCLIN A                                        
JRNL        REF    BIOCHEMISTRY                  V.  41 15625 2002              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   12501191                                                     
JRNL        DOI    10.1021/BI0268910                                            
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   N.R.BROWN,M.E.M.NOBLE,J.A.ENDICOTT,L.N.JOHNSON               
REMARK   1  TITL   THE STRUCTURAL BASIS FOR SPECIFICITY OF SUBSTRATE AND        
REMARK   1  TITL 2 RECRUITMENT PEPTIDES FOR CYCLIN-DEPENDANT KINASES            
REMARK   1  REF    NAT.CELL BIOL.                V.   1   438 1999              
REMARK   1  REFN                   ISSN 1465-7392                               
REMARK   1  PMID   10559988                                                     
REMARK   1  DOI    10.1038/15674                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC                                               
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 29.75                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 70170                          
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 + TEST SET) : 0.229                           
REMARK   3   R VALUE            (WORKING SET) : 0.227                           
REMARK   3   FREE R VALUE                     : 0.269                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 3715                            
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 8949                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 233                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 45.11                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.14000                                             
REMARK   3    B22 (A**2) : 0.06000                                              
REMARK   3    B33 (A**2) : 0.08000                                              
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 OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): NULL          
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.219         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.191         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 14.080        
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   DISTANCE RESTRAINTS.                    RMS    SIGMA               
REMARK   3    BOND LENGTH                     (A) : NULL  ; NULL                
REMARK   3    ANGLE DISTANCE                  (A) : NULL  ; NULL                
REMARK   3    INTRAPLANAR 1-4 DISTANCE        (A) : NULL  ; NULL                
REMARK   3    H-BOND OR METAL COORDINATION    (A) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   PLANE RESTRAINT                  (A) : NULL  ; NULL                
REMARK   3   CHIRAL-CENTER RESTRAINT       (A**3) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   NON-BONDED CONTACT RESTRAINTS.                                     
REMARK   3    SINGLE TORSION                  (A) : NULL  ; NULL                
REMARK   3    MULTIPLE TORSION                (A) : NULL  ; NULL                
REMARK   3    H-BOND (X...Y)                  (A) : NULL  ; NULL                
REMARK   3    H-BOND (X-H...Y)                (A) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   CONFORMATIONAL TORSION ANGLE RESTRAINTS.                           
REMARK   3    SPECIFIED                 (DEGREES) : NULL  ; NULL                
REMARK   3    PLANAR                    (DEGREES) : NULL  ; NULL                
REMARK   3    STAGGERED                 (DEGREES) : NULL  ; NULL                
REMARK   3    TRANSVERSE                (DEGREES) : NULL  ; NULL                
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  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1H27 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 06-AUG-02.                  
REMARK 100 THE PDBE ID CODE IS EBI-11185.                                       
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : NULL                               
REMARK 200  TEMPERATURE           (KELVIN) : NULL                               
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : NULL                               
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL                               
REMARK 200  WAVELENGTH OR RANGE        (A) : NULL                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC                               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : CCP4 (SCALA)                       
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 63569                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.200                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 28.990                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.7                               
REMARK 200  DATA REDUNDANCY                : 2.600                              
REMARK 200  R MERGE                    (I) : 0.07300                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 6.4000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.32                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.39900                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.400                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: PDB ENTRY 1QMZ                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 59.20                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.00                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.8M KCL, 1.2M (NH4)2SO4, 40MM HEPES     
REMARK 280  PH 7.0. PROTIEN CONCENTRATION = 10MG/ML                             
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       36.84350            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       74.04050            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       66.77350            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       74.04050            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       36.84350            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       66.77350            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PQS                                                   
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, 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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PQS                                                   
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400  CDK2: CONTROL OF THE CELL CYCLE DURING S PHASE AND G2.              
REMARK 400  BELONGS TO THE SER/THR FAMILY OF PROTEIN KINASES.                   
REMARK 400                                                                      
REMARK 400  CYCLIN A2: CONTROL OF THE CELL CYCLE. INTERACTS WITH THE CDK2       
REMARK 400  AND CDC2 PROTEIN KINASES.                                           
REMARK 400                                                                      
REMARK 400  P27: INVOLVED IN G1 CELL DIVISION PHASE ARREST                      
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY A    -4                                                      
REMARK 465     PRO A    -3                                                      
REMARK 465     LEU A    -2                                                      
REMARK 465     GLY A    -1                                                      
REMARK 465     LEU A   298                                                      
REMARK 465     GLU B   175                                                      
REMARK 465     GLY C    -4                                                      
REMARK 465     PRO C    -3                                                      
REMARK 465     LEU C    -2                                                      
REMARK 465     GLY C    -1                                                      
REMARK 465     SER C   239                                                      
REMARK 465     PHE C   240                                                      
REMARK 465     PRO C   241                                                      
REMARK 465     LYS C   242                                                      
REMARK 465     TRP C   243                                                      
REMARK 465     LEU C   298                                                      
REMARK 465     GLU D   175                                                      
REMARK 465     LYS E    25                                                      
REMARK 465     PRO E    26                                                      
REMARK 465     SER E    27                                                      
REMARK 465     ALA E    28                                                      
REMARK 465     CYS E    29                                                      
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 297    CA   C    O    CB   CG   CD   NE                    
REMARK 470     ARG A 297    CZ   NH1  NH2                                       
REMARK 470     ARG C 297    CA   C    O    CB   CG   CD   NE                    
REMARK 470     ARG C 297    CZ   NH1  NH2                                       
REMARK 475                                                                      
REMARK 475 ZERO OCCUPANCY RESIDUES                                              
REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY.             
REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT                
REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;                      
REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE)          
REMARK 475   M RES C SSEQI                                                      
REMARK 475     LYS A   89                                                       
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    HOH A  2018     O    HOH A  2019              0.40            
REMARK 500   N    THR C    39     O    HOH C  2012              1.87            
REMARK 500   O    HOH B  2024     O    HOH B  2025              2.03            
REMARK 500   N    ASP D   284     O    HOH D  2021              2.05            
REMARK 500   NE2  HIS A    71     NE2  HIS B   296              2.11            
REMARK 500   O    GLN B   203     O    HOH B  2018              2.14            
REMARK 500   O    TYR D   413     OG   SER D   422              2.14            
REMARK 500   OE1  GLU A     2     OE2  GLU C    73              2.17            
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    ASP A  86   CB  -  CG  -  OD2 ANGL. DEV. =   5.7 DEGREES          
REMARK 500    ASP A 256   CB  -  CG  -  OD2 ANGL. DEV. =   6.8 DEGREES          
REMARK 500    ASP A 270   CB  -  CG  -  OD2 ANGL. DEV. =   5.8 DEGREES          
REMARK 500    ASP B 177   CB  -  CG  -  OD2 ANGL. DEV. =   5.6 DEGREES          
REMARK 500    ASP B 283   CB  -  CG  -  OD2 ANGL. DEV. =   6.1 DEGREES          
REMARK 500    ASP B 305   CB  -  CG  -  OD2 ANGL. DEV. =   7.0 DEGREES          
REMARK 500    ASP C  68   CB  -  CG  -  OD2 ANGL. DEV. =   5.7 DEGREES          
REMARK 500    ASP C 127   CB  -  CG  -  OD2 ANGL. DEV. =   6.1 DEGREES          
REMARK 500    ASP D 216   CB  -  CG  -  OD2 ANGL. DEV. =   5.6 DEGREES          
REMARK 500    ASP D 305   CB  -  CG  -  OD2 ANGL. DEV. =   6.2 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  38     -152.48     58.73                                   
REMARK 500    GLU A  40       -3.75     69.70                                   
REMARK 500    THR A  41     -137.03    -79.92                                   
REMARK 500    LYS A  89       -5.83    -53.27                                   
REMARK 500    SER A  94       54.07   -114.61                                   
REMARK 500    LEU A  96      -72.48    -48.19                                   
REMARK 500    ASP A 127       47.07   -152.89                                   
REMARK 500    ASP A 145       80.10     63.58                                   
REMARK 500    TYR A 159     -169.25   -109.92                                   
REMARK 500    VAL A 164      128.91     83.31                                   
REMARK 500    SER A 181     -145.25   -147.59                                   
REMARK 500    LYS A 291       72.67   -114.96                                   
REMARK 500    HIS A 295       10.40    -65.64                                   
REMARK 500    LEU A 296      162.46     94.10                                   
REMARK 500    TRP B 372      107.22    -30.93                                   
REMARK 500    ASN B 431       71.97     57.43                                   
REMARK 500    GLU C   8      163.12    174.11                                   
REMARK 500    ASP C  38      -70.85     88.08                                   
REMARK 500    THR C  39      167.47     79.36                                   
REMARK 500    GLU C  40      -23.50     74.91                                   
REMARK 500    THR C  41     -102.64   -117.09                                   
REMARK 500    HIS C  84      -70.30    -15.55                                   
REMARK 500    LEU C  96      -72.05    -78.29                                   
REMARK 500    ASP C 127       42.67   -146.48                                   
REMARK 500    ASP C 145       73.87     48.58                                   
REMARK 500    TYR C 159     -165.38   -107.20                                   
REMARK 500    GLU C 162       90.17    -58.45                                   
REMARK 500    VAL C 163      -75.84   -135.35                                   
REMARK 500    SER C 181     -152.88   -160.43                                   
REMARK 500    PRO C 228      101.98    -54.74                                   
REMARK 500    THR C 231       -4.07    -59.03                                   
REMARK 500    ASP C 256     -173.90    -68.54                                   
REMARK 500    PRO D 176       43.32    -61.10                                   
REMARK 500    VAL D 197      -57.34    -16.47                                   
REMARK 500    PRO D 324     -145.14    -84.73                                   
REMARK 500    HIS D 361      -70.92    -65.36                                   
REMARK 500    LEU D 362      -34.04    -39.26                                   
REMARK 500    TYR D 365        0.36    -67.99                                   
REMARK 500    TRP D 372      107.32    -56.27                                   
REMARK 500    TYR D 413       42.12    -89.54                                   
REMARK 500    ASN D 415      157.73    -44.24                                   
REMARK 500    PRO D 427      176.58    -58.27                                   
REMARK 500    ASN D 431       40.97     71.48                                   
REMARK 500    LEU E  32      -95.05    -98.09                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500    TPO C 160         13.74                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CHIRAL CENTERS                                             
REMARK 500                                                                      
REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL                     
REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY                      
REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR                        
REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE                                    
REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16)       
REMARK 500                                                                      
REMARK 500  M RES CSSEQI    IMPROPER   EXPECTED   FOUND DETAILS                 
REMARK 500    VAL C 163        24.9      L          L   OUTSIDE RANGE           
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 D2002        DISTANCE =  5.01 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN E OF CYCLIN-DEPENDENT       
REMARK 800  KINASE INHIBITOR 1B                                                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1AQ1   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE                   
REMARK 900 INHIBITOR STAUROSPORINE                                              
REMARK 900 RELATED ID: 1B38   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN-DEPENDENT KINASE 2                                      
REMARK 900 RELATED ID: 1B39   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN-DEPENDENT KINASE 2 PHOSPHORYLATED ON THR 160            
REMARK 900 RELATED ID: 1BUH   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF THE HUMAN CDK2 KINASE COMPLEX WITHCELL          
REMARK 900 CYCLE-REGULATORY PROTEIN CKSHS1                                      
REMARK 900 RELATED ID: 1CKP   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE                   
REMARK 900 INHIBITOR PURVALANOL B                                               
REMARK 900 RELATED ID: 1DI8   RELATED DB: PDB                                   
REMARK 900 THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN                 
REMARK 900 COMPLEX WITH 4-[3- HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE          
REMARK 900 RELATED ID: 1DM2   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE                   
REMARK 900 INHIBITOR HYMENIALDISINE                                             
REMARK 900 RELATED ID: 1E1V   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE                   
REMARK 900 INHIBITOR NU2058                                                     
REMARK 900 RELATED ID: 1E1X   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE                   
REMARK 900 INHIBITOR NU6027                                                     
REMARK 900 RELATED ID: 1E9H   RELATED DB: PDB                                   
REMARK 900 THR 160 PHOSPHORYLATED CDK2 - HUMAN CYCLIN A3 COMPLEX WITH           
REMARK 900 THE INHIBITOR INDIRUBIN-5- SULPHONATE BOUND                          
REMARK 900 RELATED ID: 1F5Q   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF MURINE GAMMA HERPESVIRUS CYCLIN                 
REMARK 900 COMPLEXED TO HUMAN CYCLIN DEPENDANT KINASE 2                         
REMARK 900 RELATED ID: 1FIN   RELATED DB: PDB                                   
REMARK 900 CYCLIN A - CYCLIN-DEPENDENT KINASE 2 COMPLEX                         
REMARK 900 RELATED ID: 1FQ1   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF KINASE ASSOCIATED PHOSPHATASE (KAP)             
REMARK 900 INCOMPLEX WITH PHOSPHO-CDK2                                          
REMARK 900 RELATED ID: 1FVT   RELATED DB: PDB                                   
REMARK 900 THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) INCOMPLEX          
REMARK 900 WITH AN OXINDOLE INHIBITOR                                           
REMARK 900 RELATED ID: 1FVV   RELATED DB: PDB                                   
REMARK 900 THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN                    
REMARK 900 OXINDOLEINHIBITOR                                                    
REMARK 900 RELATED ID: 1G5S   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2)          
REMARK 900 IN COMPLEX WITH THE INHIBITOR H717                                   
REMARK 900 RELATED ID: 1GIH   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE                   
REMARK 900 CDK4INHIBITOR                                                        
REMARK 900 RELATED ID: 1GII   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE                   
REMARK 900 CDK4INHIBITOR                                                        
REMARK 900 RELATED ID: 1GIJ   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE                   
REMARK 900 CDK4INHIBITOR                                                        
REMARK 900 RELATED ID: 1GY3   RELATED DB: PDB                                   
REMARK 900 PCDK2/CYCLIN A IN COMPLEX WITH MGADP, NITRATE AND PEPTIDE            
REMARK 900 SUBSTRATE                                                            
REMARK 900 RELATED ID: 1GZ8   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE                   
REMARK 900 INHIBITOR 2-AMINO-6-(3'-METHYL- 2'-OXO)BUTOXYPURINE                  
REMARK 900 RELATED ID: 1H00   RELATED DB: PDB                                   
REMARK 900 CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6 -BIS ANILINO               
REMARK 900 PYRIMIDINE CDK4 INHIBITOR                                            
REMARK 900 RELATED ID: 1H01   RELATED DB: PDB                                   
REMARK 900 CDK2 IN COMPLEX WITH A DISUBSTITUTED 2, 4 -BIS ANILINO               
REMARK 900 PYRIMIDINE CDK4 INHIBITOR                                            
REMARK 900 RELATED ID: 1H06   RELATED DB: PDB                                   
REMARK 900 CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6 -BIS ANILINO               
REMARK 900 PYRIMIDINE CDK4 INHIBITOR                                            
REMARK 900 RELATED ID: 1H07   RELATED DB: PDB                                   
REMARK 900 CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6 -BIS ANILINO               
REMARK 900 PYRIMIDINE CDK4 INHIBITOR                                            
REMARK 900 RELATED ID: 1H08   RELATED DB: PDB                                   
REMARK 900 CDK2 IN COMPLEX WITH A DISUBSTITUTED 2, 4 -BIS ANILINO               
REMARK 900 PYRIMIDINE CDK4 INHIBITOR                                            
REMARK 900 RELATED ID: 1H0U   RELATED DB: PDB                                   
REMARK 900 M. SMEGMATIS ARYLAMINE N-ACETYL TRANSFERASE                          
REMARK 900 RELATED ID: 1H0V   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE          
REMARK 900 INHIBITOR 2-AMINO-6-[(R )-PYRROLIDINO-5'-YL]METHOXYPURINE            
REMARK 900 RELATED ID: 1H0W   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE          
REMARK 900 INHIBITOR 2-AMINO-6-[ CYCLOHEX-3-ENYL]METHOXYPURINE                  
REMARK 900 RELATED ID: 1H1P   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/ CYCLIN A COMPLEXED           
REMARK 900 WITH THE INHIBITOR NU2058                                            
REMARK 900 RELATED ID: 1H1Q   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/ CYCLIN A COMPLEXED           
REMARK 900 WITH THE INHIBITOR NU6094                                            
REMARK 900 RELATED ID: 1H1R   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/ CYCLIN A COMPLEXED           
REMARK 900 WITH THE INHIBITOR NU6086                                            
REMARK 900 RELATED ID: 1H1S   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/ CYCLIN A COMPLEXED           
REMARK 900 WITH THE INHIBITOR NU6102                                            
REMARK 900 RELATED ID: 1H24   RELATED DB: PDB                                   
REMARK 900 CDK2/CYCLINA IN COMPLEX WITH A 9 RESIDUE RECRUITMENT                 
REMARK 900 PEPTIDE FROM E2F                                                     
REMARK 900 RELATED ID: 1H25   RELATED DB: PDB                                   
REMARK 900 CDK2/CYCLINA IN COMPLEX WITH A 11 RESIDUE RECRUITMENT                
REMARK 900 PEPTIDE FROM E2F                                                     
REMARK 900 RELATED ID: 1H26   RELATED DB: PDB                                   
REMARK 900 CDK2/CYCLINA IN COMPLEX WITH A 11 RESIDUE RECRUITMENT                
REMARK 900 PEPTIDE FROM P53                                                     
REMARK 900 RELATED ID: 1H28   RELATED DB: PDB                                   
REMARK 900 CDK2/CYCLINA IN COMPLEX WITH A 11 RESIDUE RECRUITMENT                
REMARK 900 PEPTIDE FROM P27                                                     
REMARK 900 RELATED ID: 1HCK   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN-DEPENDENT KINASE 2                                      
REMARK 900 RELATED ID: 1HCL   RELATED DB: PDB                                   
REMARK 900 HUMAN CYCLIN-DEPENDENT KINASE 2                                      
REMARK 900 RELATED ID: 1JST   RELATED DB: PDB                                   
REMARK 900 PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A           
REMARK 900 RELATED ID: 1JSU   RELATED DB: PDB                                   
REMARK 900 P27(KIP1)/CYCLIN A/CDK2 COMPLEX                                      
REMARK 900 RELATED ID: 1JSV   RELATED DB: PDB                                   
REMARK 900 THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) INCOMPLEX          
REMARK 900 WITH 4-[(6-AMINO-4- PYRIMIDINYL)AMINO]BENZENESULFONAMIDE             
REMARK 900 RELATED ID: 1JVP   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF HUMAN CDK2 (UNPHOSPHORYLATED)                   
REMARK 900 INCOMPLEX WITH PKF049-365                                            
REMARK 900 RELATED ID: 1KE5   RELATED DB: PDB                                   
REMARK 900 CDK2 COMPLEXED WITH N-METHYL-4-{[(2-OXO- 1,2-DIHYDRO-3H-             
REMARK 900 INDOL-3-YLIDENE)METHYL] AMINO}BENZENESULFONAMIDE                     
REMARK 900 RELATED ID: 1KE6   RELATED DB: PDB                                   
REMARK 900 CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH N-METHYL-{           
REMARK 900 4-[2-(7-OXO-6,7-DIHYDRO -8H-[1,3]THIAZOLO[5,4-E]INDOL-8-             
REMARK 900 YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE                          
REMARK 900 RELATED ID: 1KE7   RELATED DB: PDB                                   
REMARK 900 CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[(2,2-            
REMARK 900 DIOXIDO-1,3-DIHYDRO-2- BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-           
REMARK 900 (1,3- OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE                        
REMARK 900 RELATED ID: 1KE8   RELATED DB: PDB                                   
REMARK 900 CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 4-{[(2-OXO-          
REMARK 900 1,2-DIHYDRO-3H-INDOL-3 -YLIDENE)METHYL]AMINO}-N-(1,3-                
REMARK 900 THIAZOL-2- YL)BENZENESULFONAMIDE                                     
REMARK 900 RELATED ID: 1KE9   RELATED DB: PDB                                   
REMARK 900 CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[4-({             
REMARK 900 [AMINO(IMINO)METHYL] AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO          
REMARK 900 -2,3- DIHYDRO-1H-INDOLE                                              
REMARK 900 RELATED ID: 1QMZ   RELATED DB: PDB                                   
REMARK 900 PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX              
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999  CHAINS B AND D ARE A TRUNCATED FRAGMENT OF CYCLIN A2 CONSISTING     
REMARK 999  OF RESIDUES 175-432                                                 
DBREF  1H27 A   -4     0  PDB    1H27     1H27            -4      0             
DBREF  1H27 A    1   298  UNP    P24941   CDK2_HUMAN       1    298             
DBREF  1H27 B  175   432  UNP    P20248   CGA2_HUMAN     175    432             
DBREF  1H27 C   -4     0  PDB    1H27     1H27            -4      0             
DBREF  1H27 C    1   298  UNP    P24941   CDK2_HUMAN       1    298             
DBREF  1H27 D  175   432  UNP    P20248   CGA2_HUMAN     175    432             
DBREF  1H27 E   25    35  UNP    P46527   CNDB_HUMAN      25     35             
SEQRES   1 A  303  GLY PRO LEU GLY SER MET GLU ASN PHE GLN LYS VAL GLU          
SEQRES   2 A  303  LYS ILE GLY GLU GLY THR TYR GLY VAL VAL TYR LYS ALA          
SEQRES   3 A  303  ARG ASN LYS LEU THR GLY GLU VAL VAL ALA LEU LYS LYS          
SEQRES   4 A  303  ILE ARG LEU ASP THR GLU THR GLU GLY VAL PRO SER THR          
SEQRES   5 A  303  ALA ILE ARG GLU ILE SER LEU LEU LYS GLU LEU ASN HIS          
SEQRES   6 A  303  PRO ASN ILE VAL LYS LEU LEU ASP VAL ILE HIS THR GLU          
SEQRES   7 A  303  ASN LYS LEU TYR LEU VAL PHE GLU PHE LEU HIS GLN ASP          
SEQRES   8 A  303  LEU LYS LYS PHE MET ASP ALA SER ALA LEU THR GLY ILE          
SEQRES   9 A  303  PRO LEU PRO LEU ILE LYS SER TYR LEU PHE GLN LEU LEU          
SEQRES  10 A  303  GLN GLY LEU ALA PHE CYS HIS SER HIS ARG VAL LEU HIS          
SEQRES  11 A  303  ARG ASP LEU LYS PRO GLN ASN LEU LEU ILE ASN THR GLU          
SEQRES  12 A  303  GLY ALA ILE LYS LEU ALA ASP PHE GLY LEU ALA ARG ALA          
SEQRES  13 A  303  PHE GLY VAL PRO VAL ARG THR TYR TPO HIS GLU VAL VAL          
SEQRES  14 A  303  THR LEU TRP TYR ARG ALA PRO GLU ILE LEU LEU GLY CYS          
SEQRES  15 A  303  LYS TYR TYR SER THR ALA VAL ASP ILE TRP SER LEU GLY          
SEQRES  16 A  303  CYS ILE PHE ALA GLU MET VAL THR ARG ARG ALA LEU PHE          
SEQRES  17 A  303  PRO GLY ASP SER GLU ILE ASP GLN LEU PHE ARG ILE PHE          
SEQRES  18 A  303  ARG THR LEU GLY THR PRO ASP GLU VAL VAL TRP PRO GLY          
SEQRES  19 A  303  VAL THR SER MET PRO ASP TYR LYS PRO SER PHE PRO LYS          
SEQRES  20 A  303  TRP ALA ARG GLN ASP PHE SER LYS VAL VAL PRO PRO LEU          
SEQRES  21 A  303  ASP GLU ASP GLY ARG SER LEU LEU SER GLN MET LEU HIS          
SEQRES  22 A  303  TYR ASP PRO ASN LYS ARG ILE SER ALA LYS ALA ALA LEU          
SEQRES  23 A  303  ALA HIS PRO PHE PHE GLN ASP VAL THR LYS PRO VAL PRO          
SEQRES  24 A  303  HIS LEU ARG LEU                                              
SEQRES   1 B  259  GLU VAL PRO ASP TYR HIS GLU ASP ILE HIS THR TYR LEU          
SEQRES   2 B  259  ARG GLU MET GLU VAL LYS CYS LYS PRO LYS VAL GLY TYR          
SEQRES   3 B  259  MET LYS LYS GLN PRO ASP ILE THR ASN SER MET ARG ALA          
SEQRES   4 B  259  ILE LEU VAL ASP TRP LEU VAL GLU VAL GLY GLU GLU TYR          
SEQRES   5 B  259  LYS LEU GLN ASN GLU THR LEU HIS LEU ALA VAL ASN TYR          
SEQRES   6 B  259  ILE ASP ARG PHE LEU SER SER MET SER VAL LEU ARG GLY          
SEQRES   7 B  259  LYS LEU GLN LEU VAL GLY THR ALA ALA MET LEU LEU ALA          
SEQRES   8 B  259  SER LYS PHE GLU GLU ILE TYR PRO PRO GLU VAL ALA GLU          
SEQRES   9 B  259  PHE VAL TYR ILE THR ASP ASP THR TYR THR LYS LYS GLN          
SEQRES  10 B  259  VAL LEU ARG MET GLU HIS LEU VAL LEU LYS VAL LEU THR          
SEQRES  11 B  259  PHE ASP LEU ALA ALA PRO THR VAL ASN GLN PHE LEU THR          
SEQRES  12 B  259  GLN TYR PHE LEU HIS GLN GLN PRO ALA ASN CYS LYS VAL          
SEQRES  13 B  259  GLU SER LEU ALA MET PHE LEU GLY GLU LEU SER LEU ILE          
SEQRES  14 B  259  ASP ALA ASP PRO TYR LEU LYS TYR LEU PRO SER VAL ILE          
SEQRES  15 B  259  ALA GLY ALA ALA PHE HIS LEU ALA LEU TYR THR VAL THR          
SEQRES  16 B  259  GLY GLN SER TRP PRO GLU SER LEU ILE ARG LYS THR GLY          
SEQRES  17 B  259  TYR THR LEU GLU SER LEU LYS PRO CYS LEU MET ASP LEU          
SEQRES  18 B  259  HIS GLN THR TYR LEU LYS ALA PRO GLN HIS ALA GLN GLN          
SEQRES  19 B  259  SER ILE ARG GLU LYS TYR LYS ASN SER LYS TYR HIS GLY          
SEQRES  20 B  259  VAL SER LEU LEU ASN PRO PRO GLU THR LEU ASN LEU              
SEQRES   1 C  303  GLY PRO LEU GLY SER MET GLU ASN PHE GLN LYS VAL GLU          
SEQRES   2 C  303  LYS ILE GLY GLU GLY THR TYR GLY VAL VAL TYR LYS ALA          
SEQRES   3 C  303  ARG ASN LYS LEU THR GLY GLU VAL VAL ALA LEU LYS LYS          
SEQRES   4 C  303  ILE ARG LEU ASP THR GLU THR GLU GLY VAL PRO SER THR          
SEQRES   5 C  303  ALA ILE ARG GLU ILE SER LEU LEU LYS GLU LEU ASN HIS          
SEQRES   6 C  303  PRO ASN ILE VAL LYS LEU LEU ASP VAL ILE HIS THR GLU          
SEQRES   7 C  303  ASN LYS LEU TYR LEU VAL PHE GLU PHE LEU HIS GLN ASP          
SEQRES   8 C  303  LEU LYS LYS PHE MET ASP ALA SER ALA LEU THR GLY ILE          
SEQRES   9 C  303  PRO LEU PRO LEU ILE LYS SER TYR LEU PHE GLN LEU LEU          
SEQRES  10 C  303  GLN GLY LEU ALA PHE CYS HIS SER HIS ARG VAL LEU HIS          
SEQRES  11 C  303  ARG ASP LEU LYS PRO GLN ASN LEU LEU ILE ASN THR GLU          
SEQRES  12 C  303  GLY ALA ILE LYS LEU ALA ASP PHE GLY LEU ALA ARG ALA          
SEQRES  13 C  303  PHE GLY VAL PRO VAL ARG THR TYR TPO HIS GLU VAL VAL          
SEQRES  14 C  303  THR LEU TRP TYR ARG ALA PRO GLU ILE LEU LEU GLY CYS          
SEQRES  15 C  303  LYS TYR TYR SER THR ALA VAL ASP ILE TRP SER LEU GLY          
SEQRES  16 C  303  CYS ILE PHE ALA GLU MET VAL THR ARG ARG ALA LEU PHE          
SEQRES  17 C  303  PRO GLY ASP SER GLU ILE ASP GLN LEU PHE ARG ILE PHE          
SEQRES  18 C  303  ARG THR LEU GLY THR PRO ASP GLU VAL VAL TRP PRO GLY          
SEQRES  19 C  303  VAL THR SER MET PRO ASP TYR LYS PRO SER PHE PRO LYS          
SEQRES  20 C  303  TRP ALA ARG GLN ASP PHE SER LYS VAL VAL PRO PRO LEU          
SEQRES  21 C  303  ASP GLU ASP GLY ARG SER LEU LEU SER GLN MET LEU HIS          
SEQRES  22 C  303  TYR ASP PRO ASN LYS ARG ILE SER ALA LYS ALA ALA LEU          
SEQRES  23 C  303  ALA HIS PRO PHE PHE GLN ASP VAL THR LYS PRO VAL PRO          
SEQRES  24 C  303  HIS LEU ARG LEU                                              
SEQRES   1 D  259  GLU VAL PRO ASP TYR HIS GLU ASP ILE HIS THR TYR LEU          
SEQRES   2 D  259  ARG GLU MET GLU VAL LYS CYS LYS PRO LYS VAL GLY TYR          
SEQRES   3 D  259  MET LYS LYS GLN PRO ASP ILE THR ASN SER MET ARG ALA          
SEQRES   4 D  259  ILE LEU VAL ASP TRP LEU VAL GLU VAL GLY GLU GLU TYR          
SEQRES   5 D  259  LYS LEU GLN ASN GLU THR LEU HIS LEU ALA VAL ASN TYR          
SEQRES   6 D  259  ILE ASP ARG PHE LEU SER SER MET SER VAL LEU ARG GLY          
SEQRES   7 D  259  LYS LEU GLN LEU VAL GLY THR ALA ALA MET LEU LEU ALA          
SEQRES   8 D  259  SER LYS PHE GLU GLU ILE TYR PRO PRO GLU VAL ALA GLU          
SEQRES   9 D  259  PHE VAL TYR ILE THR ASP ASP THR TYR THR LYS LYS GLN          
SEQRES  10 D  259  VAL LEU ARG MET GLU HIS LEU VAL LEU LYS VAL LEU THR          
SEQRES  11 D  259  PHE ASP LEU ALA ALA PRO THR VAL ASN GLN PHE LEU THR          
SEQRES  12 D  259  GLN TYR PHE LEU HIS GLN GLN PRO ALA ASN CYS LYS VAL          
SEQRES  13 D  259  GLU SER LEU ALA MET PHE LEU GLY GLU LEU SER LEU ILE          
SEQRES  14 D  259  ASP ALA ASP PRO TYR LEU LYS TYR LEU PRO SER VAL ILE          
SEQRES  15 D  259  ALA GLY ALA ALA PHE HIS LEU ALA LEU TYR THR VAL THR          
SEQRES  16 D  259  GLY GLN SER TRP PRO GLU SER LEU ILE ARG LYS THR GLY          
SEQRES  17 D  259  TYR THR LEU GLU SER LEU LYS PRO CYS LEU MET ASP LEU          
SEQRES  18 D  259  HIS GLN THR TYR LEU LYS ALA PRO GLN HIS ALA GLN GLN          
SEQRES  19 D  259  SER ILE ARG GLU LYS TYR LYS ASN SER LYS TYR HIS GLY          
SEQRES  20 D  259  VAL SER LEU LEU ASN PRO PRO GLU THR LEU ASN LEU              
SEQRES   1 E   11  LYS PRO SER ALA CYS ARG ASN LEU PHE GLY PRO                  
MODRES 1H27 TPO A  160  THR  PHOSPHOTHREONINE                                   
MODRES 1H27 TPO C  160  THR  PHOSPHOTHREONINE                                   
HET    TPO  A 160      11                                                       
HET    TPO  C 160      11                                                       
HETNAM     TPO PHOSPHOTHREONINE                                                 
HETSYN     TPO PHOSPHONOTHREONINE                                               
FORMUL   1  TPO    2(C4 H10 N O6 P)                                             
FORMUL   6  HOH   *233(H2 O)                                                    
HELIX    1   1 SER A    0  GLU A    2  5                                   3    
HELIX    2   2 PRO A   45  GLU A   57  1                                  13    
HELIX    3   3 LEU A   87  ASP A   92  1                                   6    
HELIX    4   4 PRO A  100  HIS A  121  1                                  22    
HELIX    5   5 LYS A  129  GLN A  131  5                                   3    
HELIX    6   6 ASP A  145  ALA A  149  5                                   5    
HELIX    7   7 THR A  165  ARG A  169  5                                   5    
HELIX    8   8 ALA A  170  LEU A  175  1                                   6    
HELIX    9   9 THR A  182  ARG A  199  1                                  18    
HELIX   10  10 SER A  207  GLY A  220  1                                  14    
HELIX   11  11 GLY A  229  MET A  233  5                                   5    
HELIX   12  12 ASP A  247  VAL A  252  1                                   6    
HELIX   13  13 ASP A  256  LEU A  267  1                                  12    
HELIX   14  14 SER A  276  ALA A  282  1                                   7    
HELIX   15  15 HIS A  283  GLN A  287  5                                   5    
HELIX   16  16 VAL B  175  CYS B  193  1                                  19    
HELIX   17  17 GLY B  198  GLN B  203  5                                   6    
HELIX   18  18 THR B  207  LYS B  226  1                                  20    
HELIX   19  19 GLN B  228  SER B  244  1                                  17    
HELIX   20  20 LEU B  249  GLY B  251  5                                   3    
HELIX   21  21 LYS B  252  GLU B  269  1                                  18    
HELIX   22  22 GLU B  274  THR B  282  1                                   9    
HELIX   23  23 THR B  287  THR B  303  1                                  17    
HELIX   24  24 THR B  310  LEU B  320  1                                  11    
HELIX   25  25 ASN B  326  LEU B  341  1                                  16    
HELIX   26  26 ASP B  343  LEU B  348  1                                   6    
HELIX   27  27 LEU B  351  GLY B  369  1                                  19    
HELIX   28  28 PRO B  373  GLY B  381  1                                   9    
HELIX   29  29 THR B  383  ALA B  401  1                                  19    
HELIX   30  30 PRO B  402  HIS B  404  5                                   3    
HELIX   31  31 GLN B  407  LYS B  414  1                                   8    
HELIX   32  32 ASN B  415  HIS B  419  5                                   5    
HELIX   33  33 GLY B  420  LEU B  424  5                                   5    
HELIX   34  34 PRO C   45  GLU C   57  1                                  13    
HELIX   35  35 LEU C   87  SER C   94  1                                   8    
HELIX   36  36 PRO C  100  HIS C  121  1                                  22    
HELIX   37  37 LYS C  129  GLN C  131  5                                   3    
HELIX   38  38 ASP C  145  ALA C  149  5                                   5    
HELIX   39  39 THR C  165  ARG C  169  5                                   5    
HELIX   40  40 ALA C  170  LEU C  175  1                                   6    
HELIX   41  41 THR C  182  ARG C  199  1                                  18    
HELIX   42  42 SER C  207  GLY C  220  1                                  14    
HELIX   43  43 GLY C  229  MET C  233  5                                   5    
HELIX   44  44 ASP C  247  VAL C  252  1                                   6    
HELIX   45  45 ASP C  256  LEU C  267  1                                  12    
HELIX   46  46 SER C  276  ALA C  282  1                                   7    
HELIX   47  47 HIS C  283  GLN C  287  5                                   5    
HELIX   48  48 TYR D  178  CYS D  193  1                                  16    
HELIX   49  49 GLY D  198  LYS D  202  5                                   5    
HELIX   50  50 THR D  207  LYS D  226  1                                  20    
HELIX   51  51 GLN D  228  MET D  246  1                                  19    
HELIX   52  52 LEU D  249  GLY D  251  5                                   3    
HELIX   53  53 LYS D  252  GLU D  269  1                                  18    
HELIX   54  54 GLU D  274  ILE D  281  1                                   8    
HELIX   55  55 THR D  287  LEU D  302  1                                  16    
HELIX   56  56 THR D  310  PHE D  319  1                                  10    
HELIX   57  57 LEU D  320  GLN D  322  5                                   3    
HELIX   58  58 ASN D  326  ASP D  343  1                                  18    
HELIX   59  59 ASP D  343  LEU D  348  1                                   6    
HELIX   60  60 LEU D  351  THR D  368  1                                  18    
HELIX   61  61 PRO D  373  GLY D  381  1                                   9    
HELIX   62  62 LEU D  387  LYS D  400  1                                  14    
HELIX   63  63 ALA D  401  HIS D  404  5                                   4    
HELIX   64  64 GLN D  407  TYR D  413  1                                   7    
HELIX   65  65 LYS D  414  HIS D  419  5                                   6    
HELIX   66  66 GLY D  420  LEU D  424  5                                   5    
SHEET    1  AA 5 PHE A   4  GLU A  12  0                                        
SHEET    2  AA 5 VAL A  17  ASN A  23 -1  O  VAL A  18   N  ILE A  10           
SHEET    3  AA 5 VAL A  29  ARG A  36 -1  O  VAL A  30   N  ALA A  21           
SHEET    4  AA 5 LYS A  75  GLU A  81 -1  O  LEU A  76   N  ILE A  35           
SHEET    5  AA 5 LEU A  66  HIS A  71 -1  N  LEU A  67   O  VAL A  79           
SHEET    1  AB 3 GLN A  85  ASP A  86  0                                        
SHEET    2  AB 3 LEU A 133  ILE A 135 -1  O  ILE A 135   N  GLN A  85           
SHEET    3  AB 3 ILE A 141  LEU A 143 -1  O  LYS A 142   N  LEU A 134           
SHEET    1  AC 2 VAL A 123  LEU A 124  0                                        
SHEET    2  AC 2 ARG A 150  ALA A 151 -1  O  ARG A 150   N  LEU A 124           
SHEET    1  CA 5 PHE C   4  GLU C  12  0                                        
SHEET    2  CA 5 VAL C  17  ASN C  23 -1  O  VAL C  18   N  ILE C  10           
SHEET    3  CA 5 VAL C  29  ARG C  36 -1  O  VAL C  30   N  ALA C  21           
SHEET    4  CA 5 LYS C  75  GLU C  81 -1  O  LEU C  76   N  ILE C  35           
SHEET    5  CA 5 LEU C  66  HIS C  71 -1  N  LEU C  67   O  VAL C  79           
SHEET    1  CB 3 GLN C  85  ASP C  86  0                                        
SHEET    2  CB 3 LEU C 133  ILE C 135 -1  O  ILE C 135   N  GLN C  85           
SHEET    3  CB 3 ILE C 141  LEU C 143 -1  O  LYS C 142   N  LEU C 134           
SHEET    1  CC 2 VAL C 123  LEU C 124  0                                        
SHEET    2  CC 2 ARG C 150  ALA C 151 -1  O  ARG C 150   N  LEU C 124           
LINK         C   TYR A 159                 N   TPO A 160     1555   1555  1.33  
LINK         C   TPO A 160                 N   HIS A 161     1555   1555  1.37  
LINK         C   TYR C 159                 N   TPO C 160     1555   1555  1.40  
LINK         C   TPO C 160                 N   HIS C 161     1555   1555  1.45  
CISPEP   1 VAL A  154    PRO A  155          0        -2.10                     
CISPEP   2 GLN B  323    PRO B  324          0       -11.19                     
CISPEP   3 ASP B  345    PRO B  346          0         7.30                     
CISPEP   4 VAL C  154    PRO C  155          0        -6.30                     
CISPEP   5 GLN D  323    PRO D  324          0        -6.59                     
CISPEP   6 ASP D  345    PRO D  346          0        12.15                     
SITE     1 AC1  9 MET B 210  LEU B 214  TRP B 217  GLU B 220                    
SITE     2 AC1  9 ARG B 250  LEU B 253  GLN B 254  ILE B 281                    
SITE     3 AC1  9 THR B 285                                                     
CRYST1   73.687  133.547  148.081  90.00  90.00  90.00 P 21 21 21    8          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.013571  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.007488  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.006753        0.00000                         
MTRIX1   1  0.002810 -0.454650  0.890660        1.38226    1                    
MTRIX2   1  0.494880  0.774590  0.393840      -60.28027    1                    
MTRIX3   1 -0.868950  0.439670  0.227180       50.30897    1                    
MTRIX1   2  0.013340 -0.481640  0.876270        5.61141    1                    
MTRIX2   2  0.465940  0.778380  0.420750      -61.96182    1                    
MTRIX3   2 -0.884720  0.402670  0.234800       54.46917    1                    
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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