7QU0

X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae

7QU0 の概要

• エントリーDOI: 10.2210/pdb7qu0/pdb
• 分子名称: Na(+)-translocating NADH-quinone reductase subunit F, FLAVIN-ADENINE DINUCLEOTIDE, ~{N}-[2,6-bis(fluoranyl)phenyl]ethanamide, ... (5 entities in total)
• 機能のキーワード: nadh oxidizing, flavoprotein
• 由来する生物種: Klebsiella pneumoniae
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 33207.40

構造登録者

Stegmann, D.,Steuber, J.,Fritz, G. (登録日: 2022-01-17, 公開日: 2022-02-09, 最終更新日: 2024-01-31)

主引用文献

Kaminski, J.W.,Vera, L.,Stegmann, D.P.,Vering, J.,Eris, D.,Smith, K.M.L.,Huang, C.Y.,Meier, N.,Steuber, J.,Wang, M.,Fritz, G.,Wojdyla, J.A.,Sharpe, M.E.
Fast fragment- and compound-screening pipeline at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 78:328-336, 2022

PubMed Abstract: Over the last two decades, fragment-based drug discovery (FBDD) has emerged as an effective and efficient method to identify new chemical scaffolds for the development of lead compounds. X-ray crystallography can be used in FBDD as a tool to validate and develop fragments identified as binders by other methods. However, it is also often used with great success as a primary screening technique. In recent years, technological advances at macromolecular crystallography beamlines in terms of instrumentation, beam intensity and robotics have enabled the development of dedicated platforms at synchrotron sources for FBDD using X-ray crystallography. Here, the development of the Fast Fragment and Compound Screening (FFCS) platform, an integrated next-generation pipeline for crystal soaking, handling and data collection which allows crystallography-based screening of protein crystals against hundreds of fragments and compounds, at the Swiss Light Source is reported.

PubMed: 35234147
DOI: 10.1107/S2059798322000705

実験手法

X-RAY DIFFRACTION (1.62 Å)