CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR DOI:10.2210/pdb1h07/pdb

1H07   Display Files  close FASTA Sequence PDB File PDB File (Header) mmCIF File mmCIF File (Header) PDBML/XML File PDBML/XML File (Header)   Download Files  close FASTA Sequence PDB File (Text) PDB File (gz) mmCIF File mmCIF File (gz) PDBML/XML File PDBML/XML File (gz) Structure Factor (Text) Structure Factor (gz) Biological Assembly (gz) (A+S)   Share this Page  close Facebook Twitter LinkedIn Email Link this Page

Primary Citation       Related Citations in PDB Entry (REMARK 1) Hide     Molecular Description Hide Classification: Transferase Structure Weight: 35025.64 Molecule: CELL DIVISION PROTEIN KINASE 2 Polymer: 1 Type: protein Length: 299 Chains: A EC#: 2.7.11.22    Organism Homo sapiens Gene Names CDK2 CDKN2 UniProtKB:   Protein Feature View | Search PDB | P24941         Source Hide Polymer: 1 Scientific Name: Homo sapiens   Taxonomy   Common Name: Human Expression System: Spodoptera frugiperda       Related PDB Entries Hide Identifier Details 1AQ1  HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE  1B38  HUMAN CYCLIN-DEPENDENT KINASE 2  1B39  HUMAN CYCLIN-DEPENDENT KINASE 2 PHOSPHORYLATED ON THR 160  1BUH  CRYSTAL STRUCTURE OF THE HUMAN CDK2 KINASE COMPLEX WITHCELL CYCLE-REGULATORY PROTEIN CKSHS1  1CKP  HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B  1DI8  THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH 4-[3- HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE  1DM2  HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR HYMENIALDISINE  1E1V  HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU2058  1E1X  HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027  1E9H  THR 160 PHOSPHORYLATED CDK2 - HUMAN CYCLIN A3 COMPLEX WITH THE INHIBITOR INDIRUBIN-5- SULPHONATE BOUND  1F5Q  CRYSTAL STRUCTURE OF MURINE GAMMA HERPESVIRUS CYCLIN COMPLEXED TO HUMAN CYCLIN DEPENDANT KINASE 2  1FIN  CYCLIN A - CYCLIN-DEPENDENT KINASE 2 COMPLEX  1FQ1  CRYSTAL STRUCTURE OF KINASE ASSOCIATED PHOSPHATASE (KAP) INCOMPLEX WITH PHOSPHO-CDK2  1FVT  THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) INCOMPLEX WITH AN OXINDOLE INHIBITOR  1FVV  THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLEINHIBITOR  1G5S  CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2)IN COMPLEX WITH THE INHIBITOR H717  1GIH  HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4INHIBITOR  1GII  HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4INHIBITOR  1GIJ  HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4INHIBITOR  1GY3  PCDK2/CYCLIN A IN COMPLEX WITH MGADP, NITRATE AND PEPTIDE SUBSTRATE  1GZ8  HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2-AMINO-6-(3'-METHYL- 2'-OXO)BUTOXYPURINE  1H00  CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6 -BIS ANILINO PYRIMIDINE CDK4 INHIBITOR  1H01  CDK2 IN COMPLEX WITH A DISUBSTITUTED 2, 4 -BIS ANILINO PYRIMIDINE CDK4 INHIBITOR  1H06  CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6 -BIS ANILINO PYRIMIDINE CDK4 INHIBITOR  1H08  CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 5 ANILINO PYRIMIDINE CDK4 INHIBITOR  1HCK  HUMAN CYCLIN-DEPENDENT KINASE 2  1HCL  HUMAN CYCLIN-DEPENDENT KINASE 2  1JST  PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A  1JSU  P27(KIP1)/CYCLIN A/CDK2 COMPLEX  1JSV  THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) INCOMPLEX WITH 4-[(6-AMINO-4- PYRIMIDINYL)AMINO]BENZENESULFONAMIDE  1JVP  CRYSTAL STRUCTURE OF HUMAN CDK2 ( UNPHOSPHORYLATED) INCOMPLEX WITH PKF049-365  1QMZ  PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX      Ligand Chemical Component Hide Identifier Formula Name Interactions MFP Search  Download  C24 H27 Br N6 O2 ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3- (DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)ACETONITRILE   Ligand Explorer MFQ Search  Download  C24 H27 Br N6 O2 ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3- (DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)ACETONITRILE   Ligand Explorer     External Ligand Annotations Hide Identifier   Binding Affinity (Sequence Identity %) MFP Search  Download  N/A in BindingDB IC50: 3000 nM - data from BindingMOAD   N/A in PDBbind MFQ Search  Download  IC50: 3000 nM (100) - data from BindingDB   IC50: 3000 nM - data from BindingMOAD   N/A in PDBbind     Modified Residues Hide Identifier Formula Parent Type ACE Search  C2 H4 O nonPolymer     External Domain Annotations Hide SCOP Classification v1.75: 1 Domain - data from SCOP   CATH Classification v3.4.0: 2 Domains - data from CATH   Pfam Classification: 2 Domains - data from Pfam   GO Terms: 56 Terms - data from GO      Structural Biology Knowledgebase Data Hide     Data in orange boxes are gathered from external resources (when available). Reset Layout

Biological Assembly            View in 3D More Images... Biological assembly 1 assigned by authors and generated by PQS (software) Downloadable viewers: Simple Viewer Protein Workshop Ligand Explorer Kiosk Viewer Other Viewers  KiNG WebMol QuickPDB FirstGlance         MyPDB Personal Annotations Hide     Deposition Summary Hide Authors:   Beattie, J.F.,  Breault, G.A.,  Ellston, R.P.A.,  Green, S.,  Jewsbury, P.J.,  Midgley, C.J.,  Naven, R.T.,  Minshull, C.A.,  Pauptit, R.A.,  Tucker, J.A.,  Pease, J.E. Deposition:   2002-06-11 Release:   2003-07-11 Last Modified (REVDAT):   2009-02-24     Revision History    Hide Mouse over text for details 2011-07-13 Version format compliance     Experimental Details Hide Method:   X-RAY DIFFRACTION Exp. Data:   Structure Factors EDS   Resolution[Å]:   1.85 R-Value: 0.210 (work) R-Free: 0.235 Space Group: P 21 21 21 Unit Cell:   Length [Å] Angles [°] a = 53.32 α = 90.00  b = 71.54 β = 90.00  c = 72.55 γ = 90.00