5BNM: E. Coli Fabh With Small Molecule Inhibitor 1

Citation:
Abstract
Fatty acid biosynthesis is essential to bacterial growth in Gram-negative pathogens. Several small molecules identified through a combination of high-throughput and fragment screening were cocrystallized with FabH (beta-ketoacyl-acyl carrier protein synthase III) from Escherichia coli and Streptococcus pneumoniae. Structure-based drug design was used to merge several scaffolds to provide a new class of inhibitors. After optimization for Gram-negative enzyme inhibitory potency, several compounds demonstrated antimicrobial activity against an efflux-negative strain of Haemophilus influenzae. Mutants resistant to these compounds had mutations in the FabH gene near the catalytic triad, validating FabH as a target for antimicrobial drug discovery.
PDB ID: 5BNMDownload
MMDB ID: 139274
PDB Deposition Date: 2015/5/26
Updated in MMDB: 2016/09
Experimental Method:
x-ray diffraction
Resolution: 1.7  Å
Source Organism:
Similar Structures:
Biological Unit for 5BNM: dimeric; determined by author and by software (PISA)
Molecular Components in 5BNM
Label Count Molecule
Proteins (2 molecules)
2
3-oxoacyl-[acyl-carrier-protein] Synthase 3(Gene symbol: fabH)
Molecule annotation
Chemicals (3 molecules)
1
1
2
1
3
1
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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