5MTQ

Crystal structure of M. tuberculosis InhA inhibited by PT511

Summary for 5MTQ

Entry DOI	10.2210/pdb5mtq/pdb
Descriptor	Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, ... (4 entities in total)
Functional Keywords	bacterial enoyl-acp reductase, diphenylether, residence time, oxidoreductase
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	8
Total formula weight	254111.94
Authors	Eltschkner, S.,Pschibul, A.,Spagnuolo, L.A.,Yu, W.,Tonge, P.J.,Kisker, C. (deposition date: 2017-01-10, release date: 2017-02-15, Last modification date: 2024-01-17)
Primary citation	Spagnuolo, L.A.,Eltschkner, S.,Yu, W.,Daryaee, F.,Davoodi, S.,Knudson, S.E.,Allen, E.K.,Merino, J.,Pschibul, A.,Moree, B.,Thivalapill, N.,Truglio, J.J.,Salafsky, J.,Slayden, R.A.,Kisker, C.,Tonge, P.J. Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139:3417-3429, 2017 Cited by PubMed: 28151657 DOI: 10.1021/jacs.6b11148 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.6 Å)

Structure validation