Structure of PDB 4a9s Chain A

Receptor sequence
>4a9sA (length=282) Species: 9606 (Homo sapiens) [Search protein sequence]
VYPKALRDEYIMSKTLEVKLAFERKTCKKVAIKIISKPALNVETEIEILK
KLNHPCIIKIKNFFDAEDYYIVLELMEGGELFDKVVGNKRLKEATCKLYF
YQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILTSL
MRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEH
RTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEA
LRHPWLQDEDMKRKFQDLLSEENESTALPQVL
3D structure
PDB4a9s Benzimidazole Inhibitors of the Protein Kinase Chk2: Clarification of the Binding Mode by Flexible Side Chain Docking and Protein-Ligand Crystallography.
ChainA
Resolution2.66 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) D119 K121 N124 D140 T157
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 RU9 A L226 K249 M304 E305 G307 L354 T367 D368 L16 K33 M76 E77 G79 L126 T139 D140 PDBbind-CN: -logKd/Ki=7.21,IC50=61nM
BindingDB: IC50=61nM
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:4a9s, PDBe:4a9s, PDBj:4a9s
PDBsum4a9s
PubMed23058106
UniProtO96017|CHK2_HUMAN Serine/threonine-protein kinase Chk2 (Gene Name=CHEK2)

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