TY - JOUR
T1 - Proton-driven alternating access in a spinster lipid transporter
AU - Dastvan, Reza
AU - Rasouli, Ali
AU - Dehghani-Ghahnaviyeh, Sepehr
AU - Gies, Samantha
AU - Tajkhorshid, Emad
N1 - The authors wish to thank Mr. Brant Swiney for his assistance in creating all HnSpns mutants and protein expression and purification. We thank Drs. Joel Eissenberg and Derek P. Claxton for critical reading and editing of the manuscript and Dr. Edwin Antony and Ms. Sahiti Kuppa for assistance with the CD analysis. This work was supported by a Lottie C. Hardy Foundation grant (to R.D.). The molecular dynamics studies were supported by NIH grant P41-104601 (to E.T.), and computing resources were provided by XSEDE grant MCA06N060 (to E.T.) and by Microsoft Azure.
PY - 2022/12
Y1 - 2022/12
N2 - Spinster (Spns) lipid transporters are critical for transporting sphingosine-1-phosphate (S1P) across cellular membranes. In humans, Spns2 functions as the main S1P transporter in endothelial cells, making it a potential drug target for modulating S1P signaling. Here, we employed an integrated approach in lipid membranes to identify unknown conformational states of a bacterial Spns from Hyphomonas neptunium (HnSpns) and to define its proton- and substrate-coupled conformational dynamics. Our systematic study reveals conserved residues critical for protonation steps and their regulation, and how sequential protonation of these proton switches coordinates the conformational transitions in the context of a noncanonical ligand-dependent alternating access. A conserved periplasmic salt bridge (Asp60TM2:Arg289TM7) keeps the transporter in a closed conformation, while proton-dependent conformational dynamics are significantly enhanced on the periplasmic side, providing a pathway for ligand exchange.
AB - Spinster (Spns) lipid transporters are critical for transporting sphingosine-1-phosphate (S1P) across cellular membranes. In humans, Spns2 functions as the main S1P transporter in endothelial cells, making it a potential drug target for modulating S1P signaling. Here, we employed an integrated approach in lipid membranes to identify unknown conformational states of a bacterial Spns from Hyphomonas neptunium (HnSpns) and to define its proton- and substrate-coupled conformational dynamics. Our systematic study reveals conserved residues critical for protonation steps and their regulation, and how sequential protonation of these proton switches coordinates the conformational transitions in the context of a noncanonical ligand-dependent alternating access. A conserved periplasmic salt bridge (Asp60TM2:Arg289TM7) keeps the transporter in a closed conformation, while proton-dependent conformational dynamics are significantly enhanced on the periplasmic side, providing a pathway for ligand exchange.
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U2 - 10.1038/s41467-022-32759-2
DO - 10.1038/s41467-022-32759-2
M3 - Article
C2 - 36055994
AN - SCOPUS:85137161035
SN - 2041-1723
VL - 13
JO - Nature communications
JF - Nature communications
IS - 1
M1 - 5161
ER -