PDBsum entry 4a4x

Transferase

PDB id: 4a4x

Contents

Protein chain

253 a.a.

Ligands

JUP

Waters ×68

PDB id:

4a4x

Name:

Transferase

Title:

Nek2-ede bound to cct248662

Structure:

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

Source:

Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008. Expression_system_variant: codonplus rpil

Resolution:

2.40Å R-factor: 0.207 R-free: 0.247

Authors:

C.Mas-Droux,R.Bayliss

Key ref:

P.Innocenti et al. (2012). Design of potent and selective hybrid inhibitors of the mitotic kinase Nek2: structure-activity relationship, structural biology, and cellular activity. J Med Chem, 55, 3228-3241. PubMed id: 22404346

Date:

20-Oct-11 Release date: 25-Apr-12

Protein chain

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

Seq: 445 a.a.

Struc: 253 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 55:3228-3241 (2012)

PubMed id: 22404346

Design of potent and selective hybrid inhibitors of the mitotic kinase Nek2: structure-activity relationship, structural biology, and cellular activity.

P.Innocenti, K.M.Cheung, S.Solanki, C.Mas-Droux, F.Rowan, S.Yeoh, K.Boxall, M.Westlake, L.Pickard, T.Hardy, J.E.Baxter, G.W.Aherne, R.Bayliss, A.M.Fry, S.Hoelder.

ABSTRACT

No abstract given.