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Increasing the Affi...
Increasing the Affinity of an O-Antigen Polysaccharide Binding Site in Shigella flexneri Bacteriophage Sf6 Tailspike Protein
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Kunstmann, Sonja (författare)
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- Engström, Olof (författare)
- Stockholms universitet,Institutionen för organisk kemi
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Wehle, Marko (författare)
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- Widmalm, Göran (författare)
- Stockholms universitet,Institutionen för organisk kemi
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Santer, Mark (författare)
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Barbirz, Stefanie (författare)
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(creator_code:org_t)
- 2020-05-19
- 2020
- Engelska.
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Ingår i: Chemistry - A European Journal. - : Wiley. - 0947-6539 .- 1521-3765. ; 26:32, s. 7263-7273
- Relaterad länk:
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https://doi.org/10.1...
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https://onlinelibrar...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Broad and unspecific use of antibiotics accelerates spread of resistances. Sensitive and robust pathogen detection is thus important for a more targeted application. Bacteriophages contain a large repertoire of pathogen-binding proteins. These tailspike proteins (TSP) often bind surface glycans and represent a promising design platform for specific pathogen sensors. We analysed bacteriophage Sf6 TSP that recognizes the O-polysaccharide of dysentery-causing Shigella flexneri to develop variants with increased sensitivity for sensor applications. Ligand polyrhamnose backbone conformations were obtained from 2D H-1,H-1-trNOESY NMR utilizing methine-methine and methine-methyl correlations. They agreed well with conformations obtained from molecular dynamics (MD), validating the method for further predictions. In a set of mutants, MD predicted ligand flexibilities that were in good correlation with binding strength as confirmed on immobilized S. flexneri O-polysaccharide (PS) with surface plasmon resonance. In silico approaches combined with rapid screening on PS surfaces hence provide valuable strategies for TSP-based pathogen sensor design.
Ämnesord
- NATURVETENSKAP -- Kemi -- Organisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Organic Chemistry (hsv//eng)
Nyckelord
- carbohydrates
- molecular dynamics simulations
- NMR spectroscopy
- protein-carbohydrate interactions
- surface plasmon resonance
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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