7COI

Crystal structure of the b-carbonic anhydrase CafA of the fungal pathogen Aspergillus fumigatus

7COI の概要

• エントリーDOI: 10.2210/pdb7coi/pdb
• 分子名称: Carbonic anhydrase, ACETATE ION, ZINC ION, ... (4 entities in total)
• 機能のキーワード: b-class carbonic anhydrase, cafa, zinc metalloenzyme, aspergillus fumigatus, lyase
• 由来する生物種: Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 123967.88

構造登録者

Jin, M.S.,Kim, S.,Yeon, J.,Sung, J. (登録日: 2020-08-04, 公開日: 2020-10-14, 最終更新日: 2023-11-29)

主引用文献

Kim, S.,Yeon, J.,Sung, J.,Jin, M.S.
Crystal Structure of beta-Carbonic Anhydrase CafA from the Fungal Pathogen Aspergillus fumigatus .
Mol.Cells, 43:831-840, 2020

PubMed Abstract: The β-class of carbonic anhydrases (β-CAs) are zinc metalloenzymes widely distributed in the fungal kingdom that play essential roles in growth, survival, differentiation, and virulence by catalyzing the reversible interconversion of carbon dioxide (CO) and bicarbonate (HCO). Herein, we report the biochemical and crystallographic characterization of the β-CA CafA from the fungal pathogen , the main causative agent of invasive aspergillosis. CafA exhibited apparent CO hydration activity in neutral to weak alkaline conditions, but little activity at acidic pH. The high-resolution crystal structure of CafA revealed a tetramer comprising a dimer of dimers, in which the catalytic zinc ion is tetrahedrally coordinated by three conserved residues (C119, H175, C178) and an acetate anion presumably acquired from the crystallization solution, indicating a freely accessible ″open″ conformation. Furthermore, knowledge of the structure of CafA in complex with the potent inhibitor acetazolamide, together with its functional intolerance of nitrate (NO) ions, could be exploited to develop new antifungal agents for the treatment of invasive aspergillosis.

PubMed: 32975213
DOI: 10.14348/molcells.2020.0168

実験手法

X-RAY DIFFRACTION (1.8 Å)