8jaa | pdb_00008jaa

Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04

spinqualitylabelsall models 8jaa, resolution 1.70Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 8jaa is a 1 chain structure with sequence from Mycobacterium tuberculosis H37Rv. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.7Å Ligands: SO4, TY6 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function LPQY_MYCTU Part of the ABC transporter complex LpqY-SugA-SugB-SugC, which is highly specific for uptake of trehalose. Involved in the recycling of extracellular trehalose released from trehalose-containing molecules synthesized by M.tuberculosis. Trehalose uptake is essential for virulence (PubMed:21118978). No binding affinity for maltose (PubMed:35775983). Publication Abstract from PubMed Trehalose plays a crucial role in the survival and virulence of the deadly human pathogen Mycobacterium tuberculosis (Mtb). The type I ATP-binding cassette (ABC) transporter LpqY-SugABC is the sole pathway for trehalose to enter Mtb. The substrate-binding protein, LpqY, which forms a stable complex with the translocator SugABC, recognizes and captures trehalose and its analogues in the periplasmic space, but the precise molecular mechanism for this process is still not well understood. This study reports a 3.02-A cryoelectron microscopy structure of trehalose-bound Mtb LpqY-SugABC in the pretranslocation state, a crystal structure of Mtb LpqY in a closed form with trehalose bound and five crystal structures of Mtb LpqY in complex with different trehalose analogues. These structures, accompanied by substrate-stimulated ATPase activity data, reveal how LpqY recognizes and binds trehalose and its analogues, and highlight the flexibility in the substrate binding pocket of LpqY. These data provide critical insights into the design of trehalose analogues that could serve as potential molecular probe tools or as anti-TB drugs. Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.,Liang J, Liu F, Xu P, Shangguan W, Hu T, Wang S, Yang X, Xiong Z, Yang X, Guddat LW, Yu B, Rao Z, Zhang B Proc Natl Acad Sci U S A. 2023 Aug 29;120(35):e2307625120. doi: , 10.1073/pnas.2307625120. Epub 2023 Aug 21. PMID:37603751 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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