PDBsum entry 3q7d

Oxidoreductase/oxidoreductase inhibitor

PDB id: 3q7d

Contents

Protein chains

552 a.a.

Ligands

NAG ×8

HEM ×2

NPX ×2

BOG ×5

Metals

_CL ×2

Waters ×598

PDB id:

3q7d

Name:

Oxidoreductase/oxidoreductase inhibitor

Title:

Structure of (r)-naproxen bound to mcox-2.

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

Source:

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

Resolution:

2.40Å R-factor: 0.180 R-free: 0.233

Authors:

K.C.Duggan,D.J.Hermanson,J.Musee,J.J.Prusakiewicz,J.Scheib, B.D.Carter,S.Banerjee,L.J.Marnett

Key ref:

K.C.Duggan et al. (2011). (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2. Nat Chem Biol, 7, 803-809. PubMed id: 22053353

Date:

04-Jan-11 Release date: 09-Nov-11

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

Nat Chem Biol 7:803-809 (2011)

PubMed id: 22053353

(R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.

K.C.Duggan, D.J.Hermanson, J.Musee, J.J.Prusakiewicz, J.L.Scheib, B.D.Carter, S.Banerjee, J.A.Oates, L.J.Marnett.

ABSTRACT

No abstract given.