4BGI

Crystal structure of InhA(S94A) mutant in complex with OH-141

Summary for 4BGI

Entry DOI	10.2210/pdb4bgi/pdb
Related	4BGE
Descriptor	Enoyl-[acyl-carrier-protein] reductase [NADH], 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... (4 entities in total)
Functional Keywords	oxidoreductase, tuberculosis drug
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	6
Total formula weight	183673.82
Authors	Pojer, F.,Hartkoorn, R.C.,Cole, S.T. (deposition date: 2013-03-27, release date: 2013-12-04, Last modification date: 2023-12-20)
Primary citation	Hartkoorn, R.C.,Pojer, F.,Read, J.A.,Gingell, H.,Neres, J.,Horlacher, O.P.,Altmann, K.H.,Cole, S.T. Pyridomycin bridges the NADH- and substrate-binding pockets of the enoyl reductase InhA. Nat. Chem. Biol., 10:96-98, 2014 Cited by PubMed: 24292073 DOI: 10.1038/nchembio.1405 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.09 Å)

Structure validation