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Complexes formed by the siderophore-based monosulfactam antibiotic BAL30072 and their interaction with the outer membrane receptor PiuA of P. aeruginosa

Abstract:

Nuclear magnetic resonance and infrared spectroscopy have been used to investigate the formation of complexes of BAL30072 with Fe3+ and Ga3+ in solution and to collect geometrical parameters supporting reliable 3D structure models. Structural models for the ligand-metal complexes with different stoichiometries have been characterized using density functional theory calculations. Blind ensemble docking to the PiuA receptor from P. aeruginosa was performed for the different complexes to compare...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1007/s10534-018-00166-0

Authors


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Role:
Author
ORCID:
0000-0001-7502-7265
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Role:
Author
ORCID:
0000-0002-5985-257X
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Role:
Author
ORCID:
0000-0002-4097-4331
Publisher:
Springer
Journal:
BioMetals More from this journal
Volume:
32
Issue:
1
Pages:
155-170
Publication date:
2019-01-11
Acceptance date:
2018-12-20
DOI:
EISSN:
1572-8773
ISSN:
0966-0844
Pmid:
30635814
Language:
English
Keywords:
Pubs id:
pubs:965393
UUID:
uuid:61a40791-e44e-41ca-b376-ee980bf33c7f
Local pid:
pubs:965393
Source identifiers:
965393
Deposit date:
2019-05-06

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