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Structure paper

TitleMolecular recognition of trehalose and trehalose analogues by LpqY-SugABC.
Journal, issue, pagesProc Natl Acad Sci U S A, Vol. 120, Issue 35, Page e2307625120, Year 2023
Publish dateAug 29, 2023
AuthorsJingxi Liang / Fengjiang Liu / Peng Xu / Wei Shangguan / Tianyu Hu / Shule Wang / Xiaolin Yang / Zhiqi Xiong / Xiuna Yang / Luke W Guddat / Biao Yu / Zihe Rao / Bing Zhang /
PubMed AbstractTrehalose plays a crucial role in the survival and virulence of the deadly human pathogen (). The type I ATP-binding cassette (ABC) transporter LpqY-SugABC is the sole pathway for trehalose to enter ...Trehalose plays a crucial role in the survival and virulence of the deadly human pathogen (). The type I ATP-binding cassette (ABC) transporter LpqY-SugABC is the sole pathway for trehalose to enter . 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-Å cryoelectron microscopy structure of trehalose-bound LpqY-SugABC in the pretranslocation state, a crystal structure of LpqY in a closed form with trehalose bound and five crystal structures of 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.
External linksProc Natl Acad Sci U S A / PubMed:37603751 / PubMed Central
MethodsEM (single particle) / X-ray diffraction
Resolution1.6 - 3.02 Å
Structure data

36125

8ja7

EMDB-36125, PDB-8ja7:
Cryo-EM structure of Mycobacterium tuberculosis LpqY-SugABC in complex with trehalose
Method: EM (single particle) / Resolution: 3.02 Å

PDB-8ja8:
Crystal structure of Mycobacterium tuberculosis LpqY with trehalose bound in a closed liganded form
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8ja9:
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-03
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-8jaa:
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-8jab:
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-06
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-8jac:
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-16
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-8jad:
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-17
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-TY6:
(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol

ChemComp-U0X:
(2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol

ChemComp-W4Z:
N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide

ChemComp-GLC:
alpha-D-glucopyranose

ChemComp-BEZ:
BENZOIC ACID

Source
  • mycobacterium tuberculosis h37rv (bacteria)
KeywordsMEMBRANE PROTEIN / ABC transporter / SUGAR BINDING PROTEIN / Trehalose / LpqY / Mycobacterium tuberculosis

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