PDBsum entry 7ayh

Transferase

PDB id: 7ayh

Contents

Protein chain

250 a.a.

Ligands

S9H

PDB id:

7ayh

Name:

Transferase

Title:

Crystal structure of aurora a in complex with 7-(2-anilinopyrimidin-4- yl)-1-benzazepin-2-one derivative (compound 2c)

Structure:

Aurora kinase a. Chain: a. Synonym: aurora 2,aurora/ipl1-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

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: aurka, aik, airk1, ark1, aura, ayk1, btak, iak1, stk15, stk6. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008. Expression_system_variant: -r3-prare2.

Resolution:

2.80Å R-factor: 0.275 R-free: 0.313

Authors:

A.Chaikuad,M.Karatas,C.Kunick,S.Knapp,Structural Genomics Consortium (Sgc)

Key ref:

a.chaikuad et al. (2021). 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors. Molecules, 26, . PubMed id: 33799460

Date:

12-Nov-20 Release date: 13-Jan-21

Protein chain

O14965  (AURKA_HUMAN) -  Aurora kinase A from Homo sapiens

Seq: 403 a.a.

Struc: 250 a.a.

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

Molecules 26: (2021)

PubMed id: 33799460

7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors.

a.chaikuad, m.karatas, c.kunick, s.knapp, structural genomics consortium (sgc).

ABSTRACT

No abstract given.