ColBuilder: a server to build collagen fibril models

Type I collagen is the main structural component of many tissues in the human body. It provides excellent mechanical properties to connective tissue and acts as a protein interaction hub. There is thus a wide interest in understanding the properties and diverse functions of type I collagen at the mo...

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Hauptverfasser: Obarska-Kosinska, Agnieszka (Verfasst von) , Rennekamp, Benedikt (Verfasst von) , Ünal, Aysecan (Verfasst von) , Gräter, Frauke (Verfasst von)
Dokumenttyp: Article (Journal)
Sprache:Englisch
Veröffentlicht: 13 July 2021
In: Biophysical journal
Year: 2021, Jahrgang: 120, Heft: 17, Pages: 3544-3549
ISSN:1542-0086
DOI:10.1016/j.bpj.2021.07.009
Online-Zugang:Verlag, kostenfrei, Volltext: https://doi.org/10.1016/j.bpj.2021.07.009
Verlag, kostenfrei, Volltext: https://www.sciencedirect.com/science/article/pii/S0006349521005610
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Verfasserangaben:Agnieszka Obarska-Kosinska, Benedikt Rennekamp, Aysecan Ünal, and Frauke Gräter
Beschreibung
Zusammenfassung:Type I collagen is the main structural component of many tissues in the human body. It provides excellent mechanical properties to connective tissue and acts as a protein interaction hub. There is thus a wide interest in understanding the properties and diverse functions of type I collagen at the molecular level. A precondition is an atomistic collagen I structure as it occurs in native tissue. To this end, we built full-atom models of cross-linked collagen fibrils by integrating the low-resolution structure of collagen fibril available from x-ray fiber diffraction with high-resolution structures of short collagen-like peptides from x-ray crystallography and mass spectrometry data. We created a Web resource of collagen models for 20 different species with a large variety of cross-link types and localization within the fibril to facilitate structure-based analyses and simulations of type I collagen in health and disease. To easily enable simulations, we provide parameters of the modeled cross-links for an Amber force field. The repository of collagen models is available at https://colbuilder.h-its.org.
Beschreibung:Gesehen am 10.11.2021
Beschreibung:Online Resource
ISSN:1542-0086
DOI:10.1016/j.bpj.2021.07.009