8ou8

Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue

spinqualitylabelsall models 8ou8, resolution 2.05Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 8ou8 is a 2 chain structure with sequence from Escherichia coli IAI1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.05Å Ligands: DMS, EDO, W0U, ZN Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function SYT_ECO8A Catalyzes the attachment of threonine to tRNA(Thr) in a two-step reaction: L-threonine is first activated by ATP to form Thr-AMP and then transferred to the acceptor end of tRNA(Thr). Also edits incorrectly charged L-seryl-tRNA(Thr).[HAMAP-Rule:MF_00184] Publication Abstract from PubMed An analogue of a toxic moiety (TM84) of natural product agrocin 84 containing threonine amide instead of 2,3-dihydroxy-4-methylpentanamide was prepared and evaluated as a putative Plasmodium falciparum threonyl t-RNA synthetase (PfThrRS) inhibitor. This TM84 analogue features submicromolar inhibitory potency (IC(50) = 440 nM) comparable to that of borrelidin (IC(50) = 43 nM) and therefore complements chemotypes known to inhibit malarial PfThrRS, which are currently limited to borrelidin and its analogues. The crystal structure of the inhibitor in complex with the E. coli homologue enzyme (EcThrRS) was obtained, revealing crucial ligand-protein interactions that will pave the way for the design of novel ThrRS inhibitors. Synthesis and evaluation of an agrocin 84 toxic moiety (TM84) analogue as a malarial threonyl tRNA synthetase inhibitor.,Buitrago JAR, Leitis G, Kanepe-Lapsa I, Rudnickiha A, Parisini E, Jirgensons A Org Biomol Chem. 2023 Jul 5;21(26):5433-5439. doi: 10.1039/d3ob00670k. PMID:37335076 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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