6DVO

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with Bavarostat

6DVO の概要

• エントリーDOI: 10.2210/pdb6dvo/pdb
• 分子名称: Hdac6 protein, ZINC ION, POTASSIUM ION, ... (7 entities in total)
• 機能のキーワード: histone deacetylase, metallohydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Danio rerio (Zebrafish)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 41387.20

構造登録者

Porter, N.J.,Christianson, D.W. (登録日: 2018-06-24, 公開日: 2018-08-29, 最終更新日: 2023-10-11)

主引用文献

Porter, N.J.,Osko, J.D.,Diedrich, D.,Kurz, T.,Hooker, J.M.,Hansen, F.K.,Christianson, D.W.
Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61:8054-8060, 2018

PubMed Abstract: Four crystal structures are presented of histone deacetylase 6 (HDAC6) complexes with para-substituted phenylhydromaxamate inhibitors, including bulky peptoids. These structures provide insight regarding the design of capping groups that confer selectivity for binding to HDAC6, specifically with regard to interactions in a pocket formed by the L1 loop. Capping group interactions may also influence hydroxamate-Zn coordination with monodentate or bidentate geometry.

PubMed: 30118224
DOI: 10.1021/acs.jmedchem.8b01013

実験手法

X-RAY DIFFRACTION (1.98 Å)