PDBsum entry 3up7

Transferase/transferase inhibitor

PDB id: 3up7

Contents

Protein chain

264 a.a.

Ligands

0C9

Waters ×14

PDB id:

3up7

Name:

Transferase/transferase inhibitor

Title:

Aurora a in complex with yl1-038-09

Structure:

Aurora kinase a. Chain: a. Fragment: 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:

3.05Å R-factor: 0.233 R-free: 0.292

Authors:

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

Key ref:

H.R.Lawrence et al. (2012). Development of o-chlorophenyl substituted pyrimidines as exceptionally potent aurora kinase inhibitors. J Med Chem, 55, 7392-7416. PubMed id: 22803810

Date:

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

Protein chain

O14965  (AURKA_HUMAN) -  Aurora kinase A from Homo sapiens

Seq: 403 a.a.

Struc: 264 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

J Med Chem 55:7392-7416 (2012)

PubMed id: 22803810

Development of o-chlorophenyl substituted pyrimidines as exceptionally potent aurora kinase inhibitors.

H.R.Lawrence, M.P.Martin, Y.Luo, R.Pireddu, H.Yang, H.Gevariya, S.Ozcan, J.Y.Zhu, R.Kendig, M.Rodriguez, R.Elias, J.Q.Cheng, S.M.Sebti, E.Schonbrunn, N.J.Lawrence.

ABSTRACT

No abstract given.