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Structure paper

TitleHijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Journal, issue, pagesAcs Infect Dis., Year 2022
Publish dateMar 3, 2017 (structure data deposition date)
AuthorsMoynie, L. / Hoegy, F. / Milenkovic, S. / Munier, M. / Paulen, A. / Gasser, V. / Faucon, A.L. / Zill, N. / Naismith, J.H. / Ceccarelli, M. ...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.
External linksAcs Infect Dis. / PubMed:35881068
MethodsX-ray diffraction
Resolution2.57 - 3.04 Å
Structure data

PDB-5nc3:
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with the tris-catechol vector
Method: X-RAY DIFFRACTION / Resolution: 2.57 Å

PDB-6y47:
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV-L5
Method: X-RAY DIFFRACTION / Resolution: 3.04 Å

PDB-6yy5:
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with TCV_L5
Method: X-RAY DIFFRACTION / Resolution: 2.717 Å

PDB-6z2n:
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV-L6
Method: X-RAY DIFFRACTION / Resolution: 3.029 Å

PDB-6z33:
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV
Method: X-RAY DIFFRACTION / Resolution: 2.711 Å

PDB-7obw:
Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with TCV-L6
Method: X-RAY DIFFRACTION / Resolution: 2.66 Å

Chemicals

ChemComp-FE:
Unknown entry / Iron

ChemComp-8SW:
~{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

ChemComp-HOH:
WATER / Water

ChemComp-OWT:
~{N}-[(5~{S})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide

ChemComp-EDO:
1,2-ETHANEDIOL / Ethylene glycol

ChemComp-QDQ:
~{N}-[2-[[(2~{S})-3-[[(2~{S})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide

ChemComp-Q5N:
BCV-L6

ChemComp-Q62:
~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide

ChemComp-V82:
[4-[[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate

Source
  • pseudomonas aeruginosa (strain atcc 15692 / dsm 22644 / cip 104116 / jcm 14847 / lmg 12228 / 1c / prs 101 / pao1) (bacteria)
  • pseudomonas aeruginosa pao1 (bacteria)
KeywordsMEMBRANE PROTEIN / PfeA / PA2688 / outer membrane receptor / TONB dependent transporter / siderophore / siderophore transporter

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