PDBsum entry 3qyw

Transferase/transferase inhibitor

PDB id: 3qyw

Contents

Protein chain

341 a.a.

Ligands

6PB

DMS ×10

SO4

Waters ×457

PDB id:

3qyw

Name:

Transferase/transferase inhibitor

Title:

Crystal structure of erk2 in complex with an inhibitor

Structure:

Mitogen-activated protein kinase 1. Chain: a. Synonym: map kinase 1, mapk 1, ert1, extracellular signal-regulated kinase 2, erk-2, map kinase isoform p42, p42-mapk, mitogen-activated protein kinase 2, map kinase 2, mapk 2. Engineered: yes

Source:

Rattus norvegicus. Brown rat,rat,rats. Organism_taxid: 10116. Gene: mapk1, erk2, mapk, prkm1. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.50Å R-factor: 0.150 R-free: 0.188

Authors:

M.Gelin,S.Pochet,F.Hoh,M.Pirochi,J.-F.Guichou,J.-L.Ferrer,G.Labesse

Key ref:

A.le Maire et al. (2011). In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr D Biol Crystallogr, 67, 747-755. PubMed id: 21904027

Date:

04-Mar-11 Release date: 24-Aug-11

Protein chain

P63086  (MK01_RAT) -  Mitogen-activated protein kinase 1 from Rattus norvegicus

Seq: 358 a.a.

Struc: 341 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

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⁺

L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] (Bound ligand (Het Group name = 6PB) matches with 41.94% similarity) + ADP + H(+)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

Acta Crystallogr D Biol Crystallogr 67:747-755 (2011)

PubMed id: 21904027

In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.

A.le Maire, M.Gelin, S.Pochet, F.Hoh, M.Pirocchi, J.F.Guichou, J.L.Ferrer, G.Labesse.

ABSTRACT

No abstract given.