PDBsum entry 4hyh

Transferase/transferase inhibitor

PDB id: 4hyh

Contents

Protein chain

263 a.a.

Ligands

1AM

Waters ×133

PDB id:

4hyh

Name:

Transferase/transferase inhibitor

Title:

X-ray crystal structure of compound 39 bound to human chk1 kinase domain

Structure:

Serine/threonine-protein kinase chk1. Chain: a. Fragment: kinase domain, unp residues 1-289. Synonym: chk1 checkpoint homolog, cell cycle checkpoint kinase, checkpoint kinase-1. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: chek1, chk1. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108. Expression_system_cell_line: sf22

Resolution:

1.70Å R-factor: 0.204 R-free: 0.226

Authors:

T.O.Fischmann

Key ref:

X.Huang et al. (2013). Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors. Bioorg Med Chem Lett, 23, 2590-2594. PubMed id: 23535330 DOI: 10.1016/j.bmcl.2013.02.108

Date:

13-Nov-12 Release date: 06-Mar-13

Protein chain

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

Seq: 476 a.a.

Struc: 263 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

DOI no: 10.1016/j.bmcl.2013.02.108

Bioorg Med Chem Lett 23:2590-2594 (2013)

PubMed id: 23535330

Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors.

X.Huang, C.C.Cheng, T.O.Fischmann, J.S.Duca, M.Richards, P.K.Tadikonda, P.A.Reddy, L.Zhao, M.A.Siddiqui, D.Parry, N.Davis, W.Seghezzi, D.Wiswell, G.W.Shipps.

ABSTRACT

No abstract given.