7SVC

NMR structure of cTnC-TnI chimera bound to calcium and A2

7SVC の概要

• エントリーDOI: 10.2210/pdb7svc/pdb
• NMR情報: BMRB: 30963
• 分子名称: Troponin C, slow skeletal and cardiac muscles,Troponin I, cardiac muscle, 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, CALCIUM ION (3 entities in total)
• 機能のキーワード: calcium sensitizer, metal binding protein
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 14724.69

構造登録者

Poppe, L.,Hartman, J.J.,Romero, A.,Reagan, J.D. (登録日: 2021-11-18, 公開日: 2022-04-06, 最終更新日: 2024-05-15)

主引用文献

Poppe, L.,Hartman, J.J.,Romero, A.,Reagan, J.D.
Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61:741-748, 2022

PubMed Abstract: Cardiac troponin is a regulatory protein complex located on the sarcomere that regulates the engagement of myosin on actin filaments. Low-molecular weight modulators of troponin that bind allosterically with the calcium ion have the potential to improve cardiac contractility in patients with reduced cardiac function. Here we propose an approach to the rational design of troponin modulators through the combined use of solution nuclear magnetic resonance and isothermal titration calorimetry methods. In contrast to traditional approaches limited to calcium and activator-bound troponin structures, here we analyzed the structural and thermodynamic impact of an activator in the context of the troponin functional cycle. This led us to propose a rationale for developing an efficacious troponin activator.

PubMed: 35349258
DOI: 10.1021/acs.biochem.2c00084

実験手法

SOLUTION NMR