PDBsum entry 3r1n

Transferase/transferase inhibitor

PDB id: 3r1n

Contents

Protein chain

274 a.a.

Ligands

05B

Waters ×74

PDB id:

3r1n

Name:

Transferase/transferase inhibitor

Title:

Mk3 kinase bound to compound 5b

Structure:

Map kinase-activated protein kinase 3. Chain: a. Fragment: kinase domain (unp residues 33-349). Synonym: mapk-activated protein kinase 3, mapkap kinase 3, mapkapk-3, chromosome 3p kinase, 3pk. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: mapkapk3. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.09Å R-factor: 0.217 R-free: 0.258

Authors:

A.Oubrie,B.Kazemier

Key ref:

T.Barf et al. (2011). Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg Med Chem Lett, 21, 3818-3822. PubMed id: 21565500

Date:

11-Mar-11 Release date: 25-May-11

Protein chain

Q16644  (MAPK3_HUMAN) -  MAP kinase-activated protein kinase 3 from Homo sapiens

Seq: 382 a.a.

Struc: 274 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 21:3818-3822 (2011)

PubMed id: 21565500

Structure-based lead identification of ATP-competitive MK2 inhibitors.

T.Barf, A.Kaptein, S.de Wilde, R.van der Heijden, R.van Someren, D.Demont, C.Schultz-Fademrecht, J.Versteegh, M.van Zeeland, N.Seegers, B.Kazemier, B.van de Kar, M.van Hoek, J.de Roos, H.Klop, R.Smeets, C.Hofstra, J.Hornberg, A.Oubrie.

ABSTRACT

No abstract given.