PDBsum entry 4aa5

Transferase

PDB id: 4aa5

Contents

Protein chain

341 a.a.

Ligands

NQB

Waters ×21

PDB id:

4aa5

Name:

Transferase

Title:

P38alpha map kinase bound to cmpd 33

Structure:

Mitogen-activated protein kinase 14. Chain: a. Synonym: map kinase 14, mapk 14, cytokine suppressive anti- inflammatory drug-binding protein, csaid-binding protein, csbp, map kinase mxi2, max-interacting protein 2, mitogen-activated protein kinase p38 alpha, map kinase p38 alpha, stress-activated protein kinase 2a, sapk2a, p38alpha map kinase. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.38Å R-factor: 0.218 R-free: 0.260

Authors:

S.Gerhardt,D.Hargreaves

Key ref:

D.S.Brown et al. (2012). The discovery of N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide (AZD6703), a clinical p38α MAP kinase inhibitor for the treatment of inflammatory diseases. Bioorg Med Chem Lett, 22, 3879-3883. PubMed id: 22608965

Date:

30-Nov-11 Release date: 16-May-12

Protein chain

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

Seq: 360 a.a.

Struc: 341 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

Bioorg Med Chem Lett 22:3879-3883 (2012)

PubMed id: 22608965

The discovery of N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide (AZD6703), a clinical p38α MAP kinase inhibitor for the treatment of inflammatory diseases.

D.S.Brown, J.G.Cumming, P.Bethel, J.Finlayson, S.Gerhardt, I.Nash, R.A.Pauptit, K.G.Pike, A.Reid, W.Snelson, S.Swallow, C.Thompson.

ABSTRACT

No abstract given.