PDBsum entry 3lau

Transferase

PDB id: 3lau

Contents

Protein chain

251 a.a. *

Ligands

OFI

Waters ×92

* Residue conservation analysis

PDB id:

3lau

Name:

Transferase

Title:

Crystal structure of aurora2 kinase in complex with a gsk3beta inhibitor

Structure:

Serine/threonine-protein kinase 6. Chain: a. Fragment: unp residues 125-399. Synonym: aurora kinase a, aurora-a, serine/threonine kinase 15, aurora/ipl1-related kinase 1, aurora-related kinase 1, hark1, breast tumor-amplified kinase. Engineered: yes. Mutation: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: aik, ark1, aura, aurka, btak, stk15, stk6. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

2.10Å R-factor: 0.203 R-free: 0.248

Authors:

S.Maignan,J.P.Guilloteau,S.Pouzieux

Key ref:

D.Lesuisse et al. (2010). Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg Med Chem Lett, 20, 1985-1989. PubMed id: 20167481

Date:

07-Jan-10 Release date: 02-Mar-10

Protein chain

O14965  (AURKA_HUMAN) -  Aurora kinase A from Homo sapiens

Seq: 403 a.a.

Struc: 251 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

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

Bioorg Med Chem Lett 20:1985-1989 (2010)

PubMed id: 20167481

Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.

D.Lesuisse, G.Dutruc-Rosset, G.Tiraboschi, M.K.Dreyer, S.Maignan, A.Chevalier, F.Halley, P.Bertrand, M.C.Burgevin, D.Quarteronet, T.Rooney.

ABSTRACT

From an HTS hit, a series of potent and selective inhibitors of GSK3beta have been designed based on a Cdk2-homology model and with the help of several crystal structures of the compounds within Cdk2.