Protein modeling and molecular dynamics simulation of the two novel surfactant proteins SP-G and SP-H

Rausch F, Schicht M, Bräuer L, Paulsen F, Brandt W (2014)

Publication Type: Journal article

Publication year: 2014

Journal

Journal of Molecular Modeling Springer Verlag (Germany)

Publisher: Springer Verlag (Germany)

Book Volume: 20

Pages Range: 2513

Journal Issue: 11

DOI: 10.1007/s00894-014-2513-0

Abstract

Surfactant proteins are well known from the human lung where they are responsible for the stability and flexibility of the pulmonary surfactant system. They are able to influence the surface tension of the gas-liquid interface specifically by directly interacting with single lipids. This work describes the generation of reliable protein structure models to support the experimental characterization of two novel putative surfactant proteins called SP-G and SP-H. The obtained protein models were complemented by predicted posttranslational modifications and placed in a lipid model system mimicking the pulmonary surface. Molecular dynamics simulations of these protein-lipid systems showed the stability of the protein models and the formation of interactions between protein surface and lipid head groups on an atomic scale. Thereby, interaction interface and strength seem to be dependent on orientation and posttranslational modification of the protein. The here presented modeling was fundamental for experimental localization studies and the simulations showed that SP-G and SP-H are theoretically able to interact with lipid systems and thus are members of the surfactant protein family.

Authors with CRIS profile

Felix Rausch Lehrstuhl für Funktionelle und Klinische Anatomie Martin Schicht Lehrstuhl für Funktionelle und Klinische Anatomie Lars Bräuer Professur für Oberflächenaktive Proteine Friedrich Paulsen Lehrstuhl für Funktionelle und Klinische Anatomie

Involved external institutions

Leibniz Institute of Plant Biochemistry / Leibniz-Institut für Pflanzenbiochemie DE Germany (DE)

How to cite

APA:

Rausch, F., Schicht, M., Bräuer, L., Paulsen, F., & Brandt, W. (2014). Protein modeling and molecular dynamics simulation of the two novel surfactant proteins SP-G and SP-H. Journal of Molecular Modeling, 20(11), 2513. https://dx.doi.org/10.1007/s00894-014-2513-0

MLA:

Rausch, Felix, et al. "Protein modeling and molecular dynamics simulation of the two novel surfactant proteins SP-G and SP-H." Journal of Molecular Modeling 20.11 (2014): 2513.

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