PDBsum entry 3pe1

Transferase/transferase inhibitor

PDB id: 3pe1

Contents

Protein chain

327 a.a.

Ligands

3NG

SO4 ×3

Waters ×392

PDB id:

3pe1

Name:

Transferase/transferase inhibitor

Title:

Crystal structure of human protein kinase ck2 alpha subunit in complex with the inhibitor cx-4945

Structure:

Casein kinase ii subunit alpha. Chain: a. Fragment: unp residues 1-337. Synonym: ck ii alpha. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: csnk2a1, ck2a1. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

1.60Å R-factor: 0.162 R-free: 0.203

Authors:

R.Battistutta,E.Papinutto,G.Lolli,F.Pierre,M.Haddach,D.M.Ryckman

Key ref:

R.Battistutta et al. (2011). Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer. Biochemistry, 50, 8478-8488. PubMed id: 21870818

Date:

25-Oct-10 Release date: 07-Sep-11

Protein chain

P68400  (CSK21_HUMAN) -  Casein kinase II subunit alpha from Homo sapiens

Seq: 391 a.a.

Struc: 327 a.a.

Enzyme reactions

• Enzyme class: E.C.2.7.11.1 - non-specific serine/threonine protein kinase.
• Reaction:
  1. L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H⁺
  2. L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H⁺

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

Biochemistry 50:8478-8488 (2011)

PubMed id: 21870818

Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.

R.Battistutta, G.Cozza, F.Pierre, E.Papinutto, G.Lolli, S.Sarno, S.E.O'Brien, A.Siddiqui-Jain, M.Haddach, K.Anderes, D.M.Ryckman, F.Meggio, L.A.Pinna.

ABSTRACT

No abstract given.