4OXK
Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer
4OXK の概要
エントリーDOI | 10.2210/pdb4oxk/pdb |
分子名称 | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ... (5 entities in total) |
機能のキーワード | bacterial fatty acid biosynthesis, conformational profile of enzyme-inhibitor complex, inhibition kinetics, substrate-binding loop refolding, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
由来する生物種 | Mycobacterium tuberculosis |
タンパク質・核酸の鎖数 | 4 |
化学式量合計 | 127374.66 |
構造登録者 | Li, H.J.,Pan, P.,Lai, C.T.,Liu, N.,Garcia-Diaz, M.,Simmerling, C.,Tonge, P.J. (登録日: 2014-02-05, 公開日: 2014-04-30, 最終更新日: 2023-09-27) |
主引用文献 | Li, H.J.,Lai, C.T.,Pan, P.,Yu, W.,Liu, N.,Bommineni, G.R.,Garcia-Diaz, M.,Simmerling, C.,Tonge, P.J. A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9:986-993, 2014 Cited by PubMed: 24527857DOI: 10.1021/cb400896g 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.8429 Å) |
構造検証レポート
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