5CG2

Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine inhibitor 35b.

Summary for 5CG2

Entry DOI	10.2210/pdb5cg2/pdb
Related	5CFZ 5CG1
Descriptor	Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide, ... (4 entities in total)
Functional Keywords	antibiotics, nad, enoyl-acp reductase, oxidoreducatase-oxidoreducatase inhibitor complex, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Escherichia coli (strain K12)
Total number of polymer chains	2
Total formula weight	67119.21
Authors	Jordan, C.A.,Vey, J.L. (deposition date: 2015-07-09, release date: 2015-12-09, Last modification date: 2023-09-27)
Primary citation	Jordan, C.A.,Sandoval, B.A.,Serobyan, M.V.,Gilling, D.H.,Groziak, M.P.,Xu, H.H.,Vey, J.L. Crystallographic insights into the structure-activity relationships of diazaborine enoyl-ACP reductase inhibitors. Acta Crystallogr.,Sect.F, 71:1521-1530, 2015 Cited by PubMed: 26625295 DOI: 10.1107/S2053230X15022098 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.11 Å)

Structure validation