6CHK

Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound TRIS

「4RK3」から置き換えられました

6CHK の概要

• エントリーDOI: 10.2210/pdb6chk/pdb
• 分子名称: Transcriptional regulator, LacI family, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, ... (5 entities in total)
• 機能のキーワード: transcriptional regulator, lactobacillus casei, structural genomics, transcription
• 由来する生物種: Lactobacillus paracasei
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 30683.22

構造登録者

Patskovsky, Y.,Toro, R.,Shabalin, I.G.,Kowiel, M.,Porebski, P.J.,Minor, W.,Jaskolski, M.,Bhosle, R.,Al Obaidi, N.,Chamala, S.,Attonito, J.D.,Scott Glenn, A.,Chowdhury, S.,Lafleur, J.,Siedel, R.D.,Hillerich, B.,Love, J.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative, E.F.I. (登録日: 2018-02-22, 公開日: 2018-03-07, 最終更新日: 2024-03-13)

主引用文献

Kowiel, M.,Brzezinski, D.,Porebski, P.J.,Shabalin, I.G.,Jaskolski, M.,Minor, W.
Automatic recognition of ligands in electron density by machine learning.
Bioinformatics, 35:452-461, 2019

PubMed Abstract: The correct identification of ligands in crystal structures of protein complexes is the cornerstone of structure-guided drug design. However, cognitive bias can sometimes mislead investigators into modeling fictitious compounds without solid support from the electron density maps. Ligand identification can be aided by automatic methods, but existing approaches are based on time-consuming iterative fitting.

PubMed: 30016407
DOI: 10.1093/bioinformatics/bty626

実験手法

X-RAY DIFFRACTION (1.8 Å)