6SQB
Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-(3-chlorophenyl)propanoic acid
Summary for 6SQB
| Entry DOI | 10.2210/pdb6sqb/pdb |
| Descriptor | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 3-(3-chlorophenyl)propanoic acid, ... (5 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 | 29728.21 |
| 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: 32240584DOI: 10.1021/acs.jmedchem.0c00007 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.774 Å) |
Structure validation
Download full validation report
