PDBsum entry 2zb0

Transferase

PDB id: 2zb0

Contents

Protein chain

349 a.a. *

Ligands

GK3

GOL

Waters ×285

* Residue conservation analysis

PDB id:

2zb0

Name:

Transferase

Title:

Crystal structure of p38 in complex with biphenyl amide inhibitor

Structure:

Mitogen-activated protein kinase 14. Chain: a. Synonym: mitogen-activated protein kinase p38 alpha, map kinase p38 alpha, cytokine suppressive anti-inflammatory drug-binding protein, csaid-binding protein, csbp, max-interacting protein 2, map kinase mxi2, sapk2a. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

2.10Å R-factor: 0.174 R-free: 0.212

Authors:

D.O.Somers

Key ref:

R.M.Angell et al. (2008). Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode. Bioorg Med Chem Lett, 18, 318-323. PubMed id: 18006306 DOI: 10.1016/j.bmcl.2007.10.076

Date:

13-Oct-07 Release date: 15-Jan-08

Protein chain

Q16539  (MK14_HUMAN) -  Mitogen-activated protein kinase 14 from Homo sapiens

Seq: 360 a.a.

Struc: 349 a.a.

Enzyme reactions

• Enzyme class: E.C.2.7.11.24 - mitogen-activated 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.2007.10.076

Bioorg Med Chem Lett 18:318-323 (2008)

PubMed id: 18006306

Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode.

R.M.Angell, P.Bamborough, A.Cleasby, S.G.Cockerill, K.L.Jones, C.J.Mooney, D.O.Somers, A.L.Walker.

ABSTRACT

The biphenyl amides (BPAs) are a novel series of p38 MAP kinase inhibitors. The discovery of the series through structure-based focused screening is described, and the binding mode of the compounds is explained with reference to X-ray crystal structures.