Structure of PDB 4cfu Chain D Binding Site BS01

Receptor Information
>4cfu Chain D (length=262) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NENEVPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVE
VGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEEI
YPPEVAEFVYITDDTYTKKQVLRMEHLVLKVLAFDLAAPTINQFLTQYFL
HQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAAAAFHLALYTVTGQ
SWPESLVQKTGYTLETLKPCLLDLHQTYLRAPQHAQQSIREKYKNSKYHG
VSLLNPPETLNL
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 chain4cfu Chain D Residue 1433 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cfu 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		M200 Q203 I206
Binding residue
(residue number reindexed from 1)		M30 Q33 I36
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:4cfu, PDBe:4cfu, PDBj:4cfu
PDBsum4cfu
PubMed24304238
UniProtP20248|CCNA2_HUMAN Cyclin-A2 (Gene Name=CCNA2)

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