7cfk | pdb_00007cfk

Structure of the CBS domain of the bacterial CNNM/CorC family Mg2+ transporter in complex with the novel inhibitor IGN95a

spinqualitylabelsall models 7cfk, resolution 2.90Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7cfk is a 2 chain structure with sequence from "thermus_parvatiensis"_dwivedi_et_al._2015 "thermus parvatiensis" dwivedi et al. 2015. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: FX6, MES Gene: AV541_07030 ("Thermus parvatiensis" Dwivedi et al. 2015) Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed The CorC/CNNM family of Na(+)-dependent Mg(2+) transporters is ubiquitously conserved from bacteria to humans. CorC, the bacterial CorC/CNNM family of proteins, is involved in resistance to antibiotic exposure and in the survival of pathogenic microorganisms in their host environment. The CorC/CNNM family proteins possess a cytoplasmic region containing the regulatory ATP-binding site. CorC and CNNM have attracted interest as therapeutic targets, whereas inhibitors targeting the ATP-binding site have not been identified. Here, we performed a virtual screening of CorC by targeting its ATP-binding site, identified a compound named IGN95a with inhibitory effects on ATP binding and Mg(2+) export, and determined the cytoplasmic domain structure in complex with IGN95a. Furthermore, a chemical cross-linking experiment indicated that with ATP bound to the cytoplasmic domain, the conformational equilibrium of CorC was shifted more toward the inward-facing state of the transmembrane domain. In contrast, IGN95a did not induce such a shift. Identification and mechanistic analysis of an inhibitor of the CorC Mg(2+) transporter.,Huang Y, Mu K, Teng X, Zhao Y, Funato Y, Miki H, Zhu W, Xu Z, Hattori M iScience. 2021 Mar 26;24(4):102370. doi: 10.1016/j.isci.2021.102370. eCollection , 2021 Apr 23. PMID:33912817 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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