PDBsum entry 3tkh

Transferase/transferase inhibitor

PDB id: 3tkh

Contents

Protein chain

269 a.a.

Ligands

SO4

07S

Waters ×216

PDB id:

3tkh

Name:

Transferase/transferase inhibitor

Title:

Crystal structure of chk1 in complex with inhibitor s01

Structure:

Serine/threonine-protein kinase chk1. Chain: a. Fragment: chk1 kinase domain. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: chek1, chk1. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.

Resolution:

1.79Å R-factor: 0.184 R-free: 0.201

Authors:

Y.Yan,M.Ikuta

Key ref:

V.Y.Dudkin et al. (2012). Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates. Bioorg Med Chem Lett, 22, 2609-2612. PubMed id: 22374217

Date:

26-Aug-11 Release date: 11-Apr-12

Protein chain

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

Seq: 476 a.a.

Struc: 269 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 22:2609-2612 (2012)

PubMed id: 22374217

Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates.

V.Y.Dudkin, K.Rickert, C.Kreatsoulas, C.Wang, K.L.Arrington, M.E.Fraley, G.D.Hartman, Y.Yan, M.Ikuta, S.M.Stirdivant, R.A.Drakas, E.S.Walsh, K.Hamilton, C.A.Buser, R.B.Lobell, L.Sepp-Lorenzino.

ABSTRACT

No abstract given.