Structure of PDB 4a9t Chain A

Receptor sequence
>4a9tA (length=289) Species: 9606 (Homo sapiens) [Search protein sequence]
MSVYPKALRDEYIMSKTLGSGEVKLAFERKTCKKVAIKIISKPALNVETE
IEILKKLNHPCIIKIKNFFDAEDYYIVLELMEGGELFDKVVGNKRLKEAT
CKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSK
ILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSG
YPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKA
RFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVL
3D structure
PDB4a9t Benzimidazole Inhibitors of the Protein Kinase Chk2: Clarification of the Binding Mode by Flexible Side Chain Docking and Protein-Ligand Crystallography.
ChainA
Resolution2.7 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D347 K349 N352 D368 T387
Catalytic site (residue number reindexed from 1) D124 K126 N129 D145 T164
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 A9T A L226 V234 K249 M304 G307 L354 T367 D368 L512 L18 V23 K38 M81 G84 L131 T144 D145 L289 PDBbind-CN: -logKd/Ki=7.15,IC50=70nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:4a9t, PDBe:4a9t, PDBj:4a9t
PDBsum4a9t
PubMed23058106
UniProtO96017|CHK2_HUMAN Serine/threonine-protein kinase Chk2 (Gene Name=CHEK2)

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