Deconstructing the Salt-Bridge Network of a Computationally Designed Collagen HeterotrimerDeconstructing the Salt-Bridge Network of a Computationally Designed Collagen Heterotrimer

Structural highlights

5yan is a 6 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
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Publication Abstract from PubMed

One-quarter of the 28 types of natural collagen exist as heterotrimers. The oligomerization state of collagen affects the structure and mechanics of the extracellular matrix, providing essential cues to modulate biological and pathological processes. A lack of high-resolution structural information limits our mechanistic understanding of collagen heterospecific self-assembly. Here, the 1.77-A resolution structure of a synthetic heterotrimer demonstrates the balance of intermolecular electrostatics and hydrogen bonding that affects collagen stability and heterospecificity of assembly. Atomistic simulations and mutagenesis based on the solved structure are used to explore the contributions of specific interactions to energetics. A predictive model of collagen stability and specificity is developed for engineering novel collagen structures.

How electrostatic networks modulate specificity and stability of collagen.,Zheng H, Lu C, Lan J, Fan S, Nanda V, Xu F Proc Natl Acad Sci U S A. 2018 Jun 12;115(24):6207-6212. doi:, 10.1073/pnas.1802171115. Epub 2018 May 29. PMID:29844169[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

See Also

References

  1. Zheng H, Lu C, Lan J, Fan S, Nanda V, Xu F. How electrostatic networks modulate specificity and stability of collagen. Proc Natl Acad Sci U S A. 2018 Jun 12;115(24):6207-6212. doi:, 10.1073/pnas.1802171115. Epub 2018 May 29. PMID:29844169 doi:http://dx.doi.org/10.1073/pnas.1802171115

5yan, resolution 1.77Å

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