5JZ9

Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid

Summary for 5JZ9

• Entry DOI: 10.2210/pdb5jz9/pdb
• Related: 2VF2
• Descriptor: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid (3 entities in total)
• Functional Keywords: hsad, m. tuberculosis, cholesterol, inhibitor, mcp-hydrolase, hydrolase
• Biological source: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
• Total number of polymer chains: 2
• Total formula weight: 62677.11

Authors

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. (deposition date: 2016-05-16, release date: 2017-04-05, Last modification date: 2024-01-10)

• Primary citation: 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: 28380256; DOI: 10.1111/bph.13810

Experimental method

X-RAY DIFFRACTION (2.68 Å)