PDBsum entry 3s4q

Transferase/transferase inhibitor

PDB id: 3s4q

Contents

Protein chain

326 a.a.

Ligands

NK0

Waters ×25

PDB id:

3s4q

Name:

Transferase/transferase inhibitor

Title:

P38 alpha kinase complexed with a pyrazolo-triazine based inhibitor

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, sapk2a. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: csbp, csbp1, csbp2, cspb1, mapk14, mxi2. Expressed in: escherichia coli. Expression_system_taxid: 562. Expression_system_cell_line: bl21 de3.

Resolution:

2.27Å R-factor: 0.260 R-free: 0.327

Authors:

J.S.Sack

Key ref:

A.J.Dyckman et al. (2011). Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors. Bioorg Med Chem Lett, 21, 4633-4637. PubMed id: 21705217

Date:

20-May-11 Release date: 01-Feb-12

Protein chain

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

Seq: 360 a.a.

Struc: 326 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 21:4633-4637 (2011)

PubMed id: 21705217

Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors.

A.J.Dyckman, T.Li, S.Pitt, R.Zhang, D.R.Shen, K.W.McIntyre, K.M.Gillooly, D.J.Shuster, A.M.Doweyko, J.S.Sack, K.Kish, S.E.Kiefer, J.A.Newitt, H.Zhang, P.H.Marathe, M.McKinnon, J.C.Barrish, J.H.Dodd, G.L.Schieven, K.Leftheris.

ABSTRACT

No abstract given.