PDBsum entry 4rrx

Oxidoreductase

PDB id: 4rrx

Contents

Protein chains

552 a.a.

Ligands

NAG-NAG ×2

NAG ×4

BOG ×2

LUR ×2

Waters ×213

PDB id:

4rrx

Name:

Oxidoreductase

Title:

Crystal structure of apo murine v89w cyclooxygenase-2 complexed with lumiracoxib

Structure:

Prostaglandin g/h synthase 2. Chain: a, b. Synonym: cyclooxygenase-2, cox-2, glucocorticoid-regulated inflammatory cyclooxygenase, gripghs, macrophage activation- associated marker protein p71/73, pes-2, phs ii, prostaglandin h2 synthase 2, pgh synthase 2, pghs-2, prostaglandin-endoperoxide synthase 2, tis10 protein. Engineered: yes. Mutation: yes

Source:

Mus musculus. Mouse. Organism_taxid: 10090. Gene: ptgs2, cox-2, cox2, pghs-b, tis10. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.

Resolution:

2.78Å R-factor: 0.250 R-free: 0.277

Authors:

S.Xu,A.L.Blobaum,S.Banerjee,L.J.Marnett

Key ref:

A.L.Blobaum et al. (2015). Action at a distance: mutations of peripheral residues transform rapid reversible inhibitors to slow, tight binders of cyclooxygenase-2. J Biol Chem, 290, 12793-12803. PubMed id: 25825493 DOI: 10.1074/jbc.M114.635987

Date:

06-Nov-14 Release date: 08-Apr-15

Protein chains

Q05769  (PGH2_MOUSE) -  Prostaglandin G/H synthase 2 from Mus musculus

Seq: 604 a.a.

Struc: 552 a.a.*

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

Enzyme reactions

• Enzyme class: E.C.1.14.99.1 - prostaglandin-endoperoxide synthase.
• Reaction: (5Z,8Z,11Z,14Z)-eicosatetraenoate + AH2 + 2 O2 = prostaglandin H2 + A + H2O

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

Added reference

DOI no: 10.1074/jbc.M114.635987

J Biol Chem 290:12793-12803 (2015)

PubMed id: 25825493

Action at a distance: mutations of peripheral residues transform rapid reversible inhibitors to slow, tight binders of cyclooxygenase-2.

A.L.Blobaum, S.Xu, S.W.Rowlinson, K.C.Duggan, S.Banerjee, S.N.Kudalkar, W.R.Birmingham, K.Ghebreselasie, L.J.Marnett.

ABSTRACT

No abstract given.