6QEB

Assessment of a large enzyme-drug complex by proton-detected solid-state NMR without deuteration

6QEB の概要

• エントリーDOI: 10.2210/pdb6qeb/pdb
• NMR情報: BMRB: 34347
• 分子名称: Carbonic anhydrase 2, ZINC ION, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE (3 entities in total)
• 機能のキーワード: hcaii solid state nmr acetazolamide, hydrolase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29576.72

構造登録者

Vasa, S.K. (登録日: 2019-01-07, 公開日: 2019-02-06, 最終更新日: 2024-06-19)

主引用文献

Vasa, S.K.,Singh, H.,Grohe, K.,Linser, R.
Assessment of a Large Enzyme-Drug Complex by Proton-Detected Solid-State NMR Spectroscopy without Deuteration.
Angew.Chem.Int.Ed.Engl., 58:5758-5762, 2019

PubMed Abstract: Solid-state NMR spectroscopy has recently enabled structural biology with small amounts of non-deuterated proteins, largely alleviating the classical sample production demands. Still, despite the benefits for sample preparation, successful and comprehensive characterization of complex spin systems in the few cases of higher-molecular-weight proteins has thus far relied on traditional C-detected methodology or sample deuteration. Herein we show for a 29 kDa carbonic anhydrase:acetazolamide complex that different aspects of solid-state NMR assessment of a complex spin system can be successfully accessed using a non-deuterated, 500 μg sample in combination with adequate spectroscopic tools. The shown access to protein structure, protein dynamics, as well as biochemical parameters in amino acid sidechains, such as histidine protonation states, will be transferable to proteins that are not expressible in E. coli.

PubMed: 30688395
DOI: 10.1002/anie.201811714

実験手法

SOLID-STATE NMR