Structure of PDB 4a9u Chain A

Receptor sequence
>4a9uA (length=287) Species: 9606 (Homo sapiens) [Search protein sequence]
MSVYPKALRDEYIMSKTLGSEVKLAFERKTCKKVAIKIISKDPALNVETE
IEILKKLNHPCIIKIKNFFDAEDYYIVLELMEGGELFDKVVGNKRLKEAT
CKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSK
ILTSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYP
PFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARF
TTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVL
3D structure
PDB4a9u Benzimidazole Inhibitors of the Protein Kinase Chk2: Clarification of the Binding Mode by Flexible Side Chain Docking and Protein-Ligand Crystallography
ChainA
Resolution2.48 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 T162
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 A9U A L226 V234 K249 L301 M304 G307 L354 T367 D368 L18 V22 K37 L78 M81 G84 L131 T144 D145 PDBbind-CN: -logKd/Ki=7.22,IC50=60nM
BindingDB: IC50=70nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4a9u, PDBe:4a9u, PDBj:4a9u
PDBsum4a9u
PubMed23058106
UniProtO96017|CHK2_HUMAN Serine/threonine-protein kinase Chk2 (Gene Name=CHEK2)

[Back to BioLiP]