5H8X

Crystal structure of the complex MMP-8/BF471 (catechol inhibitor)

5H8X の概要

• エントリーDOI: 10.2210/pdb5h8x/pdb
• 分子名称: Neutrophil collagenase, CALCIUM ION, ZINC ION, ... (7 entities in total)
• 機能のキーワード: catechol function, mmps, inhibitor, metalloprotese, zinc binding function, hydrolase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasmic granule: P22894
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 19200.72

構造登録者

Pochetti, G.,Montanari, R.,Capelli, D.,Tortorella, P. (登録日: 2015-12-24, 公開日: 2016-11-02, 最終更新日: 2024-01-10)

主引用文献

Tauro, M.,Laghezza, A.,Loiodice, F.,Piemontese, L.,Caradonna, A.,Capelli, D.,Montanari, R.,Pochetti, G.,Di Pizio, A.,Agamennone, M.,Campestre, C.,Tortorella, P.
Catechol-based matrix metalloproteinase inhibitors with additional antioxidative activity.
J Enzyme Inhib Med Chem, 31:25-37, 2016

PubMed Abstract: New catechol-containing chemical entities have been investigated as matrix metalloproteinase inhibitors as well as antioxidant molecules. The combination of the two properties could represent a useful feature due to the potential application in all the pathological processes characterized by increased proteolytic activity and radical oxygen species (ROS) production, such as inflammation and photoaging. A series of catechol-based molecules were synthesized and tested for both proteolytic and oxidative inhibitory activity, and the detailed binding mode was assessed by crystal structure determination of the complex between a catechol derivative and the matrix metalloproteinase-8. Surprisingly, X-ray structure reveals that the catechol oxygens do not coordinates the zinc atom.

PubMed: 27556138
DOI: 10.1080/14756366.2016.1217853

実験手法

X-RAY DIFFRACTION (1.3 Å)