PDBsum entry 2zjw

Transferase

PDB id

2zjw

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Contents

			Protein chain

					332 a.a. *

			Ligands

					REF

			Waters ×249

* Residue conservation analysis

PDB id:

2zjw

Links
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Name:

Transferase

Title:

Crystal structure of human ck2 alpha complexed with ellagic acid

Structure:

Casein kinase ii subunit alpha. Chain: a. Fragment: protein kinase domain, unp residues 1-335. Synonym: ck ii. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

2.40Å

R-factor:

0.222

R-free:

0.274

Authors:

Y.Sekiguchi,T.Kinoshita,T.Nakaniwa,T.Tada

Key ref:

Y.Sekiguchi et al. (2009). Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid. Bioorg Med Chem Lett, 19, 2920-2923. PubMed id: 19414254

Date:

11-Mar-08

Release date:

17-Mar-09

PROCHECK

	Headers

	References

Protein chain

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

Seq: Struc:					391 a.a. 332 a.a.

Key:

PfamA domain

Secondary structure

CATH domain



		Enzyme reactions

Enzyme class:

E.C.2.7.11.1 - non-specific serine/threonine protein kinase.

[IntEnz] [ExPASy] [KEGG] [BRENDA]

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⁺

L-seryl-[protein]	+	ATP	=	O-phospho-L-seryl-[protein]	+	ADP	+	H(+)

L-threonyl-[protein]	+	ATP	=	O-phospho-L-threonyl-[protein]	+	ADP	+	H(+)

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

reference

	Bioorg Med Chem Lett 19:2920-2923 (2009)
PubMed id: 19414254

Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid.
Y.Sekiguchi, T.Nakaniwa, T.Kinoshita, I.Nakanishi, K.Kitaura, A.Hirasawa, G.Tsujimoto, T.Tada.

ABSTRACT

We determined the 2.35-A crystal structure of a human CK2 catalytic subunit (referred to as CK2alpha complexed with the ATP-competitive, potent CK2 inhibitor ellagic acid. The inhibitor binds to CK2alpha with a novel binding mode, including water-mediated hydrogen bonds. This structural information may support discovery of potent CK2 inhibitors.

Literature references that cite this PDB file's key reference

PubMed id

Reference

20014760

M.Sharma, L.Li, J.Celver, C.Killian, A.Kovoor, and N.P.Seeram (2010).
Effects of fruit ellagitannin extracts, ellagic acid, and their colonic metabolite, urolithin A, on Wnt signaling.

J Agric Food Chem, 58, 3965-3969.

The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.