KFU. Card publication. Structure of Scots pine defensine 1 by spectroscopic methods and computational modeling

KAZAN
FEDERAL UNIVERSITY

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STRUCTURE OF SCOTS PINE DEFENSINE 1 BY SPECTROSCOPIC METHODS AND COMPUTATIONAL MODELING

Form of presentation

Articles in international journals and collections

Year of publication

2016

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Authors, employees of KFU

Khayrutdinov Bulat Imamutdinovich, author

Other authors

Ermakova Elena , author

Nesmelova Irina , author

Bibliographic description in the original language

Ermakova E.A. Structure of Scots pine defensine 1 by spectroscopic methods and computational modeling / E.A. Ermakova, D.A. Faizullin, B.Z. Idiyatullin, B.I. Khairutdinov, L.N. Mukhamedova, N.B. Tarasova, Y.Y. Toporkova, E.V. Osipova, Y.V. Gogolev, Y.F. Zuev, I.V. Nesmelova // International Journal of Biologocal Macromolecules. – 2016. Vol. 84. – P. 142-152.

Annotation

Defensins are part of the innate immune system in plants with activity against a broad range of pathogens,including bacteria, fungi and viruses. Several defensins from conifers, including Scots pine defensin 1(Pinus sylvestris defensin 1, (PsDef1)) have shown a strong antifungal activity, however structural andphysico-chemical properties of the family, needed for establishing the structure-dynamics-function rela-tionships, remain poorly characterized. We use several spectroscopic and computational methods tocharacterize the structure, dynamics, and oligomeric state of PsDef1. The three-dimensional structure wasmodeled by comparative modeling using several programs (Geno3D, SWISS-MODEL, I-TASSER, Phyre2,and FUGUE) and verified by circular dichroism (CD) and infrared (FTIR) spectroscopy. Furthermore, FTIRdata indicates that the structure of PsDef1 is highly resistant to high temperatures. NMR diffusion experi-ments show that defensin exists in solution in the equilibrium between monomers

Keywords

Defensin, Structure, Dimer, Computational modeling, Circular dichroism, FTIRa

The name of the journal

INT J BIOL MACROMOL

URL

http://www.sciencedirect.com/science/article/pii/S0141813015301987

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=147298&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Khayrutdinov Bulat Imamutdinovich	ru_RU
dc.contributor.author	Ermakova Elena	ru_RU
dc.contributor.author	Nesmelova Irina	ru_RU
dc.date.accessioned	2016-01-01T00:00:00Z	ru_RU
dc.date.available	2016-01-01T00:00:00Z	ru_RU
dc.date.issued	2016	ru_RU
dc.identifier.citation	Ermakova E.A. Structure of Scots pine defensine 1 by spectroscopic methods and computational modeling / E.A. Ermakova, D.A. Faizullin, B.Z. Idiyatullin, B.I. Khairutdinov, L.N. Mukhamedova, N.B. Tarasova, Y.Y. Toporkova, E.V. Osipova, Y.V. Gogolev, Y.F. Zuev, I.V. Nesmelova // International Journal of Biologocal Macromolecules. – 2016. Vol. 84. – P. 142-152.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=147298&p_lang=2	ru_RU
dc.description.abstract	INT J BIOL MACROMOL	ru_RU
dc.description.abstract	Defensins are part of the innate immune system in plants with activity against a broad range of pathogens,including bacteria, fungi and viruses. Several defensins from conifers, including Scots pine defensin 1(Pinus sylvestris defensin 1, (PsDef1)) have shown a strong antifungal activity, however structural andphysico-chemical properties of the family, needed for establishing the structure-dynamics-function rela-tionships, remain poorly characterized. We use several spectroscopic and computational methods tocharacterize the structure, dynamics, and oligomeric state of PsDef1. The three-dimensional structure wasmodeled by comparative modeling using several programs (Geno3D, SWISS-MODEL, I-TASSER, Phyre2,and FUGUE) and verified by circular dichroism (CD) and infrared (FTIR) spectroscopy. Furthermore, FTIRdata indicates that the structure of PsDef1 is highly resistant to high temperatures. NMR diffusion experi-ments show that defensin exists in solution in the equilibrium between monomers	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	Defensin	ru_RU
dc.subject	Structure	ru_RU
dc.subject	Dimer	ru_RU
dc.subject	Computational modeling	ru_RU
dc.subject	Circular dichroism	ru_RU
dc.subject	FTIRa	ru_RU
dc.title	Structure of Scots pine defensine 1 by spectroscopic methods and computational modeling	ru_RU
dc.type	Articles in international journals and collections	ru_RU