Structure of PDB 2ycf Chain A Binding Site BS02

Receptor Information

>2ycf Chain A (length=286) Species: 9606 (Homo sapiens)

SVYPKALRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISKNVETEI
EILKKLNHPCIIKIKNFFDAEDYYIVLELMEGGELFDKVVGNKRLKEATC
KLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKI
LGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGY
PPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKAR
FTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQ

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: 2ycf Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ycf Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
• Resolution: 1.77 Å
• Binding residue (original residue number in PDB): D347 D368
• Binding residue (residue number reindexed from 1): D123 D144
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D347 K349 N352 D368 T387
• Catalytic site (residue number reindexed from 1): D123 K125 N128 D144 T163
• 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:2ycf, PDBe:2ycf, PDBj:2ycf
• PDBsum: 2ycf
• PubMed: 21963792
• UniProt: O96017|CHK2_HUMAN Serine/threonine-protein kinase Chk2 (Gene Name=CHEK2)