5NC3

Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with the tris-catechol vector

5NC3 の概要

• エントリーDOI: 10.2210/pdb5nc3/pdb
• 分子名称: Ferric enterobactin receptor, FE (III) ION, ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide, ... (4 entities in total)
• 機能のキーワード: pfea, pa2688, outer membrane receptor, membrane protein
• 由来する生物種: Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)
• 細胞内の位置: Cell outer membrane: Q05098
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 79492.93

構造登録者

Moynie, L.,Naismith, J.H. (登録日: 2017-03-03, 公開日: 2018-03-21, 最終更新日: 2024-11-20)

主引用文献

Moynie, L.,Hoegy, F.,Milenkovic, S.,Munier, M.,Paulen, A.,Gasser, V.,Faucon, A.L.,Zill, N.,Naismith, J.H.,Ceccarelli, M.,Schalk, I.J.,Mislin, G.L.A.
Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Acs Infect Dis., 2022

PubMed Abstract: Enterobactin (ENT) is a tris-catechol siderophore used to acquire iron by multiple bacterial species. These ENT-dependent iron uptake systems have often been considered as potential gates in the bacterial envelope through which one can shuttle antibiotics (Trojan horse strategy). In practice, siderophore analogues containing catechol moieties have shown promise as vectors to which antibiotics may be attached. Bis- and tris-catechol vectors (BCVs and TCVs, respectively) were shown using structural biology and molecular modeling to mimic ENT binding to the outer membrane transporter PfeA in . TCV but not BCV appears to cross the outer membrane via PfeA when linked to an antibiotic (linezolid). TCV is therefore a promising vector for Trojan horse strategies against , confirming the ENT-dependent iron uptake system as a gate to transport antibiotics into cells.

PubMed: 35881068
DOI: 10.1021/acsinfecdis.2c00202

実験手法

X-RAY DIFFRACTION (2.57 Å)