Structure of PDB 4a9r Chain A

Receptor sequence
>4a9rA (length=285) Species: 9606 (Homo sapiens) [Search protein sequence]
SVYPKALRDEYIMSKTLEVKLAFERKTCKKVAIKIISKPALNVETEIEIL
KKLNHPCIIKIKNFFDAEDYYIVLELMEGGELFDKVVGNKRLKEATCKLY
FYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGE
TSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPF
SEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTT
EEALRHPWLQDEDMKRKFQDLLSEENESTALPQVL
3D structure
PDB4a9r Benzimidazole Inhibitors of the Protein Kinase Chk2: Clarification of the Binding Mode by Flexible Side Chain Docking and Protein-Ligand Crystallography
ChainA
Resolution2.85 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) D120 K122 N125 D141 T160
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 RU5 A L226 V234 K249 L301 M304 E305 G307 L354 T367 D368 L17 V19 K34 L74 M77 E78 G80 L127 T140 D141 PDBbind-CN: -logKd/Ki=7.80,IC50=16nM
BindingDB: IC50=15nM
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:4a9r, PDBe:4a9r, PDBj:4a9r
PDBsum4a9r
PubMed23058106
UniProtO96017|CHK2_HUMAN Serine/threonine-protein kinase Chk2 (Gene Name=CHEK2)

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