3KIG

Mutant carbonic anhydrase II in complex with an azide and an alkyne

3KIG の概要

• エントリーDOI: 10.2210/pdb3kig/pdb
• 関連するPDBエントリー: 1Z9Y
• 分子名称: Carbonic anhydrase 2, ZINC ION, 2-azido-N-(2-sulfanylethyl)ethanamide, ... (5 entities in total)
• 機能のキーワード: 10 stranded, twisted beta-sheets, lyase, disease mutation, metal-binding
• 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: 30338.60

構造登録者

Schulze-Wischeler, J.,Niehage, N.U.,Heine, A.,Klebe, G. (登録日: 2009-11-02, 公開日: 2010-11-17, 最終更新日: 2024-02-21)

主引用文献

Schulze Wischeler, J.,Sun, D.,Sandner, N.U.,Linne, U.,Heine, A.,Koert, U.,Klebe, G.
Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17:5842-5851, 2011

PubMed Abstract: The carbonic anhydrase II mutant His64Cys was prepared and applied to tethered alkyne/azide cycloaddition reactions. The azide component could be tethered to the enzyme surface through a disulfide bridge, while the alkyne component was reversibly coordinated through a sulfonamide anchor to the zinc ion in the original catalytic center of the enzyme. The incipient orientation of the reactants in the binding site and of the formed triazole product were characterized by crystallography. The reaction progression could be monitored by HPLC-MS analysis.

PubMed: 21506176
DOI: 10.1002/chem.201002437

実験手法

X-RAY DIFFRACTION (1.39 Å)