5V3Y

Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM16

5V3Y の概要

• エントリーDOI: 10.2210/pdb5v3y/pdb
• 関連するPDBエントリー: 5V3W 5V3X 5V3Z 5V40 5V41 5V42
• 分子名称: Polyketide synthase Pks13 (Termination polyketide synthase), 2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: thioesterase domain, tam16 complex, pks13, mycobacterium, polyketide synthase, mycolic acid condensation, tb structural genomics consortium, tbsgc, alpha/beta hydrolase, thioesterase-transferase inhibitor complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 64412.42

構造登録者

Aggarwal, A.,Sacchettini, J.C. (登録日: 2017-03-08, 公開日: 2017-07-05, 最終更新日: 2023-10-04)

• 主引用文献: Aggarwal, A.,Parai, M.K.,Shetty, N.,Wallis, D.,Woolhiser, L.,Hastings, C.,Dutta, N.K.,Galaviz, S.,Dhakal, R.C.,Shrestha, R.,Wakabayashi, S.,Walpole, C.,Matthews, D.,Floyd, D.,Scullion, P.,Riley, J.,Epemolu, O.,Norval, S.,Snavely, T.,Robertson, G.T.,Rubin, E.J.,Ioerger, T.R.,Sirgel, F.A.,van der Merwe, R.,van Helden, P.D.,Keller, P.,Bottger, E.C.,Karakousis, P.C.,Lenaerts, A.J.,Sacchettini, J.C.; Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.; Cell, 170:249-259.e25, 2017; PubMed: 28669536; DOI: 10.1016/j.cell.2017.06.025

実験手法

X-RAY DIFFRACTION (1.98 Å)