5I3M

Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated thiourea-linked carboxylate zinc-chelator water-soluble inhibitor (DC31).

5I3M の概要

• エントリーDOI: 10.2210/pdb5i3m/pdb
• 関連するPDBエントリー: 5I12 5I2Z 5IOL
• 分子名称: Macrophage metalloelastase, (2S)-2-{[2-({[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name), ZINC ION, ... (9 entities in total)
• 機能のキーワード: inhibitor, complex, glycoconjugate, metalloprotease, hydrolase
• 由来する生物種: Homo sapiens (Human); 詳細
• 細胞内の位置: Secreted, extracellular space, extracellular matrix : P39900
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 74652.79

構造登録者

Stura, E.A.,Rosalia, L.,Cuffaro, D.,Tepshi, L.,Ciccone, L.,Rossello, A. (登録日: 2016-02-10, 公開日: 2016-07-06, 最終更新日: 2024-01-10)

• 主引用文献: Nuti, E.,Cuffaro, D.,D'Andrea, F.,Rosalia, L.,Tepshi, L.,Fabbi, M.,Carbotti, G.,Ferrini, S.,Santamaria, S.,Camodeca, C.,Ciccone, L.,Orlandini, E.,Nencetti, S.,Stura, E.A.,Dive, V.,Rossello, A.; Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.; Chemmedchem, 11:1626-1637, 2016; PubMed: 27356908; DOI: 10.1002/cmdc.201600235

実験手法

X-RAY DIFFRACTION (2.17 Å)