PDBsum entry 3nt1

Oxidoreductase/oxidoreductase inhibitor

PDB id: 3nt1

Contents

Protein chains

552 a.a. *

Ligands

NAG-NAG ×2

NAG ×4

BOG ×4

NPS ×2

HEM ×2

Metals

_CL ×2

Waters ×1051

* Residue conservation analysis

PDB id:

3nt1

Name:

Oxidoreductase/oxidoreductase inhibitor

Title:

High resolution structure of naproxen:cox-2 complex.

Structure:

Prostaglandin-endoperoxide synthase 2. Chain: a, b. Fragment: unp residues 18-604, catalytic domain. Engineered: yes

Source:

Mus musculus. Mouse. Organism_taxid: 10090. Gene: cox-2 pghs-b, mcg_5001, ptgs2. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108

Resolution:

1.73Å R-factor: 0.168 R-free: 0.186

Authors:

K.C.Duggan,J.Musee,M.J.Walters,J.M.Harp,J.R.Kiefer,J.A.Oates, L.J.Marnett

Key ref:

K.C.Duggan et al. (2010). Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen. J Biol Chem, 285, 34950-34959. PubMed id: 20810665

Date:

02-Jul-10 Release date: 01-Sep-10

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

J Biol Chem 285:34950-34959 (2010)

PubMed id: 20810665

Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen.

K.C.Duggan, M.J.Walters, J.Musee, J.M.Harp, J.R.Kiefer, J.A.Oates, L.J.Marnett.

ABSTRACT

No abstract given.