2AYL

2.0 Angstrom Crystal Structure of Manganese Protoporphyrin IX-reconstituted Ovine Prostaglandin H2 Synthase-1 Complexed With Flurbiprofen

2AYL の概要

• エントリーDOI: 10.2210/pdb2ayl/pdb
• 関連するPDBエントリー: 1EQG 1EQH 1HT5 1HT8 1PRH 1Q4G
• 分子名称: Prostaglandin G/H synthase 1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (9 entities in total)
• 機能のキーワード: cyclooxygenase, non-steroidal anti-inflammatory drug, peroxidase, prostaglandin synthase, egf-like domain, membrane binding domain, maganese protoporphyrin ix, oxidoreductase
• 由来する生物種: Ovis aries (sheep)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 135842.83

構造登録者

Gupta, K.,Selinsky, B.S.,Loll, P.J. (登録日: 2005-09-07, 公開日: 2006-01-24, 最終更新日: 2024-11-20)

主引用文献

Gupta, K.,Selinsky, B.S.,Loll, P.J.
2.0 angstroms structure of prostaglandin H2 synthase-1 reconstituted with a manganese porphyrin cofactor.
Acta Crystallogr.,Sect.D, 62:151-156, 2006

PubMed Abstract: Prostaglandin H2 synthase (EC 1.14.99.1) is a clinically important drug target that catalyzes two key steps in the biosynthesis of the eicosanoid hormones. The enzyme contains spatially distinct cyclooxygenase and peroxidase active sites, both of which require a heme cofactor. Substitution of ferric heme by Mn(III) protoporphyrin IX greatly diminishes the peroxidase activity, but has little effect on the cyclooxygenase activity. Here, the 2.0 angstroms resolution crystal structure of the Mn(III) form of ovine prostaglandin H2 synthase-1 is described (R = 21.8%, R(free) = 23.7%). Substitution of Mn(III) for Fe(III) causes no structural perturbations in the protein. However, the out-of-plane displacement of the manganese ion with respect to the porphyrin is greater than that of the iron by approximately 0.2 angstroms. This perturbation may help to explain the altered catalytic properties of the manganese enzyme.

PubMed: 16421446
DOI: 10.1107/S0907444905036309

実験手法

X-RAY DIFFRACTION (2 Å)