6DNP

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-3-Methyl-6-F-phenyldiketoacid

6DNP の概要

• エントリーDOI: 10.2210/pdb6dnp/pdb
• 分子名称: Malate synthase G, MAGNESIUM ION, (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, ... (5 entities in total)
• 機能のキーワード: acetyltransferase, structural genomics, tb structural genomics consortium, tbsgc, psi-2, protein structure initiative, mycobacterium tuberculosis structural proteomics project, xmtb, lyase, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 80901.73

構造登録者

Krieger, I.V.,Sacchettini, J.C.,TB Structural Genomics Consortium (TBSGC),Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) (登録日: 2018-06-07, 公開日: 2018-09-05, 最終更新日: 2023-10-11)

• 主引用文献: Ellenbarger, J.F.,Krieger, I.V.,Huang, H.L.,Gomez-Coca, S.,Ioerger, T.R.,Sacchettini, J.C.,Wheeler, S.E.,Dunbar, K.R.; Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.; J Chem Inf Model, 58:2085-2091, 2018; PubMed: 30137983; DOI: 10.1021/acs.jcim.8b00417

実験手法

X-RAY DIFFRACTION (1.711 Å)