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TitleStructural basis for antibiotic transport and inhibition in PepT2.
Journal, issue, pagesNat Commun, Vol. 15, Issue 1, Page 8755, Year 2024
Publish dateOct 9, 2024
AuthorsJoanne L Parker / Justin C Deme / Simon M Lichtinger / Gabriel Kuteyi / Philip C Biggin / Susan M Lea / Simon Newstead /
PubMed AbstractThe uptake and elimination of beta-lactam antibiotics in the human body are facilitated by the proton-coupled peptide transporters PepT1 (SLC15A1) and PepT2 (SLC15A2). The mechanism by which SLC15 ...The uptake and elimination of beta-lactam antibiotics in the human body are facilitated by the proton-coupled peptide transporters PepT1 (SLC15A1) and PepT2 (SLC15A2). The mechanism by which SLC15 family transporters recognize and discriminate between different drug classes and dietary peptides remains unclear, hampering efforts to improve antibiotic pharmacokinetics through targeted drug design and delivery. Here, we present cryo-EM structures of the proton-coupled peptide transporter, PepT2 from Rattus norvegicus, in complex with the widely used beta-lactam antibiotics cefadroxil, amoxicillin and cloxacillin. Our structures, combined with pharmacophore mapping, molecular dynamics simulations and biochemical assays, establish the mechanism of beta-lactam antibiotic recognition and the important role of protonation in drug binding and transport.
External linksNat Commun / PubMed:39384780 / PubMed Central
MethodsEM (single particle)
Resolution2.9 - 3.2 Å
Structure data

44599

9bir

EMDB-44599, PDB-9bir:
Cryo-EM structure of the mammalian peptide transporter PepT2 bound to cefadroxil
Method: EM (single particle) / Resolution: 3.1 Å

44600

9bis

EMDB-44600, PDB-9bis:
Cryo-EM structure of the mammalian peptide transporter PepT2 bound to amoxicillin
Method: EM (single particle) / Resolution: 3.2 Å

44601

9bit

EMDB-44601, PDB-9bit:
Cryo-EM structure of the mammalian peptide transporter PepT2 bound to cloxacillin, pose 1
Method: EM (single particle) / Resolution: 3.1 Å

44602

9biu

EMDB-44602, PDB-9biu:
Cryo-EM structure of the mammalian peptide transporter PepT2 bound to cloxacillin, pose 2
Method: EM (single particle) / Resolution: 2.9 Å

Chemicals


PDB Unreleased entry

PDB-1app: Unknown entry

ChemComp-AXL:
2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID / medication, antibiotic*YM

ChemComp-CXN:
CLOXACILLIN / antibiotic*YM

Source
  • rattus norvegicus (Norway rat)
  • lama glama (llama)
KeywordsMEMBRANE PROTEIN / protein-coupled peptide transporter / peptide transport / antibiotics

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