PDBsum entry 4fm5

Oxidoreductase/oxidoreductase inhibitor

PDB id: 4fm5

Contents

Protein chains

552 a.a.

Ligands

NAG-NAG ×4

BOG ×6

HEM ×4

DF0 ×4

Waters ×186

PDB id:

4fm5

Name:

Oxidoreductase/oxidoreductase inhibitor

Title:

X-ray structure of des-methylflurbiprofen bound to murine cox-2

Structure:

Prostaglandin g/h synthase 2. Chain: a, b, c, d. Fragment: prostaglandin g/h synthase 2. 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

Source:

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

Resolution:

2.81Å R-factor: 0.243 R-free: 0.290

Authors:

S.Xu,S.Banerjee,M.A.Windsor,L.J.Marnett

Key ref:

M.A.Windsor et al. (2012). Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes. Acs Med Chem Lett, 3, 759-763. PubMed id: 22984634

Date:

15-Jun-12 Release date: 29-Aug-12

Protein chains

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

Seq: 604 a.a.

Struc: 552 a.a.

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

(5Z,8Z,11Z,14Z)-eicosatetraenoate + AH2 + 2 × O2 = prostaglandin H2 + + H2O (Bound ligand (Het Group name = HEM) matches with 51.11% similarity)

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

Added reference

Acs Med Chem Lett 3:759-763 (2012)

PubMed id: 22984634

Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes.

M.A.Windsor, D.J.Hermanson, P.J.Kingsley, S.Xu, B.C.Crews, W.Ho, C.M.Keenan, S.Banerjee, K.A.Sharkey, L.J.Marnett.

ABSTRACT

No abstract given.