5YAN

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

Summary for 5YAN

• Entry DOI: 10.2210/pdb5yan/pdb
• Descriptor: Collagen, ... (4 entities in total)
• Functional Keywords: collagen, heterotrimer, ion pairs, structural protein
• Biological source: synthetic construct; More
• Total number of polymer chains: 6
• Total formula weight: 18487.46

Authors

Fan, S. (deposition date: 2017-09-01, release date: 2018-06-13, Last modification date: 2025-04-09)

Primary citation

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., 115:6207-6212, 2018

PubMed Abstract: 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-Å 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.

PubMed: 29844169
DOI: 10.1073/pnas.1802171115

Experimental method

X-RAY DIFFRACTION (1.77 Å)