Structure of PDB 2cn5 Chain A Binding Site BS01

Receptor Information

>2cn5 Chain A (length=283) Species: 9606 (Homo sapiens)

HMSVYPKALRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISKRNVE
TEIEILKKLNHPCIIKIKNFFDAEDYYIVLELMEGGELFDKVVGNKRLKE
ATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGH
SKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICL
SGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDP
KARFTTEEALRHPWLQDEDMKRKFQDLLSEENE

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 2cn5 Chain A Residue 1506

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2cn5 Trans-Activation of the DNA-Damage Signalling Protein Kinase Chk2 by T-Loop Exchange
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): N352 D368
• Binding residue (residue number reindexed from 1): N131 D147
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D347 K349 N352 D368 T387
• Catalytic site (residue number reindexed from 1): D126 K128 N131 D147 T166
• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:2cn5, PDBe:2cn5, PDBj:2cn5
• PDBsum: 2cn5
• PubMed: 16794575
• UniProt: O96017|CHK2_HUMAN Serine/threonine-protein kinase Chk2 (Gene Name=CHEK2)