PDBsum entry 2x8i

Transferase

PDB id: 2x8i

Contents

Protein chain

261 a.a. *

Ligands

X8I

SO4 ×2

GOL

Waters ×241

* Residue conservation analysis

PDB id:

2x8i

Name:

Transferase

Title:

Discovery of a novel class of triazolones as checkpoint kinase inhibitors - hit to lead exploration

Structure:

Serine/threonine-protein kinase chk1. Chain: a. Fragment: chk1kd, residues 1-289. Synonym: chk1 checkpoint kinase. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.

Resolution:

1.92Å R-factor: 0.189 R-free: 0.224

Authors:

J.A.Read,J.Breed,H.Haye,E.Mccall,L.Otterbein,A.Vallentine,A.White

Key ref:

V.Oza et al. (2010). Discovery of a novel class of triazolones as checkpoint kinase inhibitors--hit to lead exploration. Bioorg Med Chem Lett, 20, 5133-5138. PubMed id: 20673630

Date:

09-Mar-10 Release date: 11-Aug-10

Protein chain

O14757  (CHK1_HUMAN) -  Serine/threonine-protein kinase Chk1 from Homo sapiens

Seq: 476 a.a.

Struc: 261 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

Bioorg Med Chem Lett 20:5133-5138 (2010)

PubMed id: 20673630

Discovery of a novel class of triazolones as checkpoint kinase inhibitors--hit to lead exploration.

V.Oza, S.Ashwell, P.Brassil, J.Breed, C.Deng, J.Ezhuthachan, H.Haye, C.Horn, J.Janetka, P.Lyne, N.Newcombe, L.Otterbien, M.Pass, J.Read, S.Roswell, M.Su, D.Toader, D.Yu, Y.Yu, A.Valentine, P.Webborn, A.White, S.Zabludoff, X.Zheng.

ABSTRACT

No abstract given.