PDBsum entry 2xk4

Transferase

PDB id: 2xk4

Contents

Protein chain

252 a.a. *

Ligands

OL2

Metals

_CL ×6

Waters ×201

* Residue conservation analysis

PDB id:

2xk4

Name:

Transferase

Title:

Structure of nek2 bound to aminopyrazine compound 17

Structure:

Serine/threonine-protein kinase nek2. Chain: a. Fragment: catalytic domain, residues 1-271. Synonym: nek2, never in mitosis a-related kinase 2, nima-related protein kinase 2, nima-like protein kinase 1, hspk 21. Engineered: yes

Source:

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

Resolution:

2.10Å R-factor: 0.170 R-free: 0.211

Authors:

C.Mas-Droux,R.Bayliss

Key ref:

D.K.Whelligan et al. (2010). Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. J Med Chem, 53, 7682-7698. PubMed id: 20936789

Date:

07-Jul-10 Release date: 27-Oct-10

Protein chain

P51955  (NEK2_HUMAN) -  Serine/threonine-protein kinase Nek2 from Homo sapiens

Seq: 445 a.a.

Struc: 252 a.a.*

* PDB and UniProt seqs differ at 8 residue positions (black crosses)

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

J Med Chem 53:7682-7698 (2010)

PubMed id: 20936789

Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization.

D.K.Whelligan, S.Solanki, D.Taylor, D.W.Thomson, K.M.Cheung, K.Boxall, C.Mas-Droux, C.Barillari, S.Burns, C.G.Grummitt, I.Collins, R.L.van Montfort, G.W.Aherne, R.Bayliss, S.Hoelder.

ABSTRACT

No abstract given.