8BA6

Structure of the FK1 domain of the FKBP51 G64S variant in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone

8BA6 の概要

• エントリーDOI: 10.2210/pdb8ba6/pdb
• 分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone (3 entities in total)
• 機能のキーワード: isomerase inhibitor complex, isomerase
• 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: 14711.88

構造登録者

Meyners, C.,Hausch, F. (登録日: 2022-10-11, 公開日: 2022-11-16, 最終更新日: 2024-01-31)

• 主引用文献: Lerma Romero, J.A.,Meyners, C.,Christmann, A.,Reinbold, L.M.,Charalampidou, A.,Hausch, F.,Kolmar, H.; Binding pocket stabilization by high-throughput screening of yeast display libraries.; Front Mol Biosci, 9:1023131-1023131, 2022; PubMed: 36419931; DOI: 10.3389/fmolb.2022.1023131

実験手法

X-RAY DIFFRACTION (1.1 Å)