7PHX

Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid-stable sulfotyrosine analogue

7PHX の概要

• エントリーDOI: 10.2210/pdb7phx/pdb
• 分子名称: Thrombin light chain, Thrombin heavy chain, Tsetse thrombin inhibitor, ... (6 entities in total)
• 機能のキーワード: anticoagulant; exosite ii binding; sulfotyrosine sulfonate analogue, blood clotting
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 37649.69

構造登録者

Pereira, P.J.B.,Ripoll-Rozada, J.,Calisto, B.M. (登録日: 2021-08-18, 公開日: 2021-10-06, 最終更新日: 2024-11-06)

主引用文献

Dowman, L.J.,Agten, S.M.,Ripoll-Rozada, J.,Calisto, B.M.,Pereira, P.J.B.,Payne, R.J.
Synthesis and evaluation of peptidic thrombin inhibitors bearing acid-stable sulfotyrosine analogues.
Chem.Commun.(Camb.), 57:10923-10926, 2021

PubMed Abstract: Tyrosine sulfation is an important post-translational modification of peptides and proteins which underpins and modulates many protein-protein interactions. In order to overcome the inherent instability of the native modification, we report the synthesis of two sulfonate analogues and their incorporation into two thrombin-inhibiting sulfopeptides. The effective mimicry of these sulfonate analogues for native sulfotyrosine was validated in the context of their thrombin inhibitory activity and binding mode, as determined by X-ray crystallography.

PubMed: 34596182
DOI: 10.1039/d1cc04742f

実験手法

X-RAY DIFFRACTION (1.8 Å)