PDBsum entry 3uol

Transferase/transferase inhibitor

PDB id: 3uol

Contents

Protein chains

263 a.a.

Ligands

0C7 ×2

EDO ×12

Waters ×124

PDB id:

3uol

Name:

Transferase/transferase inhibitor

Title:

Aurora a in complex with so2-162

Structure:

Aurora kinase a. Chain: a, b. Fragment: kinase domain, residues 123-401. Synonym: aurora 2, aurora/ipl1-related kinase 1, ark-1, aurora- related kinase 1, hark1, breast tumor-amplified kinase, serine/threonine-protein kinase 15, serine/threonine-protein kinase 6, serine/threonine-protein kinase aurora-a. Engineered: yes. Mutation: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: aurka, aik, airk1, ark1, aura, ayk1, btak, iak1, stk15, stk6. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.40Å R-factor: 0.237 R-free: 0.283

Authors:

M.P.Martin,J.-Y.Zhu,E.Schonbrunn

Key ref:

M.P.Martin et al. (2012). A novel mechanism by which small molecule inhibitors induce the DFG flip in Aurora A. Acs Chem Biol, 7, 698-706. PubMed id: 22248356 DOI: 10.1021/cb200508b

Date:

16-Nov-11 Release date: 25-Jan-12

Protein chains

O14965  (AURKA_HUMAN) -  Aurora kinase A from Homo sapiens

Seq: 403 a.a.

Struc: 263 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

DOI no: 10.1021/cb200508b

Acs Chem Biol 7:698-706 (2012)

PubMed id: 22248356

A novel mechanism by which small molecule inhibitors induce the DFG flip in Aurora A.

M.P.Martin, J.Y.Zhu, H.R.Lawrence, R.Pireddu, Y.Luo, R.Alam, S.Ozcan, S.M.Sebti, N.J.Lawrence, E.Schönbrunn.

ABSTRACT

No abstract given.