7A7D

Cadherin fit into cryo-ET map

これはPDB形式変換不可エントリーです。

7A7D の概要

• エントリーDOI: 10.2210/pdb7a7d/pdb
• EMDBエントリー: 11678
• 分子名称: Desmoglein-2, Desmocollin-2 (2 entities in total)
• 機能のキーワード: cadherin, desmosome, cell adhesion
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 14
• 化学式量合計: 859341.96

構造登録者

Sikora, M.,Ermel, U.H.,Seybold, A.,Kunz, M.,Calloni, G.,Reitz, J.,Vabulas, R.M.,Hummer, G.,Frangakis, A.S. (登録日: 2020-08-28, 公開日: 2020-12-23, 最終更新日: 2024-11-13)

主引用文献

Sikora, M.,Ermel, U.H.,Seybold, A.,Kunz, M.,Calloni, G.,Reitz, J.,Vabulas, R.M.,Hummer, G.,Frangakis, A.S.
Desmosome architecture derived from molecular dynamics simulations and cryo-electron tomography.
Proc.Natl.Acad.Sci.USA, 117:27132-27140, 2020

PubMed Abstract: Desmosomes are cell-cell junctions that link tissue cells experiencing intense mechanical stress. Although the structure of the desmosomal cadherins is known, the desmosome architecture-which is essential for mediating numerous functions-remains elusive. Here, we recorded cryo-electron tomograms (cryo-ET) in which individual cadherins can be discerned; they appear variable in shape, spacing, and tilt with respect to the membrane. The resulting sub-tomogram average reaches a resolution of ∼26 Å, limited by the inherent flexibility of desmosomes. To address this challenge typical of dynamic biological assemblies, we combine sub-tomogram averaging with atomistic molecular dynamics (MD) simulations. We generate models of possible cadherin arrangements and perform an in silico screening according to biophysical and structural properties extracted from MD simulation trajectories. We find a truss-like arrangement of cadherins that resembles the characteristic footprint seen in the electron micrograph. The resulting model of the desmosomal architecture explains their unique biophysical properties and strength.

PubMed: 33067392
DOI: 10.1073/pnas.2004563117

実験手法

ELECTRON MICROSCOPY (26 Å)