6SQ5

Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid

Summary for 6SQ5

Entry DOI	10.2210/pdb6sq5/pdb
Descriptor	Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid, ... (4 entities in total)
Functional Keywords	inha, nadh-dependent enoyl-[acyl-carrier-protein] reductase, oxidoreductase
Biological source	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Total number of polymer chains	1
Total formula weight	29521.44
Authors	Mendes, V.,Sabbah, M.,Coyne, A.G.,Abell, C.,Blundell, T.L. (deposition date: 2019-09-03, release date: 2020-04-22, Last modification date: 2024-01-24)
Primary citation	Sabbah, M.,Mendes, V.,Vistal, R.G.,Dias, D.M.G.,Zahorszka, M.,Mikusova, K.,Kordulakova, J.,Coyne, A.G.,Blundell, T.L.,Abell, C. Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63:4749-4761, 2020 Cited by PubMed: 32240584 DOI: 10.1021/acs.jmedchem.0c00007 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.84 Å)

Structure validation