Structure of PDB 1oi9 Chain B Binding Site BS01

Receptor Information
>1oi9 Chain B (length=258) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEE
YKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPE
VAEFVYITDDTYTKKQVLRMEHLVLKVLTFDLAAPTVNQFLTQYFLHQQP
ANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAFHLALYTVTGQSWPE
SLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHGVSLL
NPPETLNL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1oi9 Chain B Residue 1433 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1oi9 N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q203 I206
Binding residue
(residue number reindexed from 1)		Q29 I32
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016538 cyclin-dependent protein serine/threonine kinase regulator activity
Biological Process
GO:0044772 mitotic cell cycle phase transition

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Molecular Function
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Biological Process
External links
PDB RCSB:1oi9, PDBe:1oi9, PDBj:1oi9
PDBsum1oi9
PubMed15239650
UniProtP20248|CCNA2_HUMAN Cyclin-A2 (Gene Name=CCNA2)

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