4J4T

Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold

Summary for 4J4T

Entry DOI	10.2210/pdb4j4t/pdb
Related	3UIC 4J1N 4J3F
Descriptor	Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ... (7 entities in total)
Functional Keywords	rossmann fold, reductase, nadh, reduction, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Francisella tularensis subsp. tularensis
Total number of polymer chains	8
Total formula weight	248642.47
Authors	Mehboob, S.,Boci, T.,Brubaker, L.,Santarsiero, B.D.,Johnson, M.E. (deposition date: 2013-02-07, release date: 2014-07-23, Last modification date: 2023-09-20)
Primary citation	Mehboob, S.,Song, J.,Hevener, K.E.,Su, P.C.,Boci, T.,Brubaker, L.,Truong, L.,Mistry, T.,Deng, J.,Cook, J.L.,Santarsiero, B.D.,Ghosh, A.K.,Johnson, M.E. Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI). Bioorg.Med.Chem.Lett., 25:1292-1296, 2015 Cited by PubMed: 25677657 DOI: 10.1016/j.bmcl.2015.01.048 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.34 Å)

Structure validation