5JZB

Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide

5JZB の概要

• エントリーDOI: 10.2210/pdb5jzb/pdb
• 関連するPDBエントリー: 2VF2 5JZ9
• 分子名称: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, 3,5-dichlorobenzene-1-sulfonamide, PHOSPHATE ION, ... (4 entities in total)
• 機能のキーワード: hsad, m. tuberculosis, cholesterol, inhibitor, mcp-hydrolase, hydrolase
• 由来する生物種: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 62509.91

構造登録者

Ryan, A.,Polycarpou, E.,Lack, N.A.,Evangelopoulos, D.,Sieg, C.,Halman, A.,Bhakta, S.,Sinclair, A.,Eleftheriadou, O.,McHugh, T.D.,Keany, S.,Lowe, E.,Ballet, R.,Abihammad, A.,Ciulli, A.,Sim, E. (登録日: 2016-05-16, 公開日: 2017-04-05, 最終更新日: 2024-05-08)

主引用文献

Ryan, A.,Polycarpou, E.,Lack, N.A.,Evangelopoulos, D.,Sieg, C.,Halman, A.,Bhakta, S.,Eleftheriadou, O.,McHugh, T.D.,Keany, S.,Lowe, E.D.,Ballet, R.,Abuhammad, A.,Jacobs, W.R.,Ciulli, A.,Sim, E.
Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174:2209-2224, 2017

PubMed Abstract: With the emergence of extensively drug-resistant tuberculosis, there is a need for new anti-tubercular drugs that work through novel mechanisms of action. The meta cleavage product hydrolase, HsaD, has been demonstrated to be critical for the survival of Mycobacterium tuberculosis in macrophages and is encoded in an operon involved in cholesterol catabolism, which is identical in M. tuberculosis and M. bovis BCG.

PubMed: 28380256
DOI: 10.1111/bph.13810

実験手法

X-RAY DIFFRACTION (2.102 Å)