6L6E

Human PDE5 catalytic core in complex with avanafil

6L6E の概要

• エントリーDOI: 10.2210/pdb6l6e/pdb
• 分子名称: cGMP-specific 3',5'-cyclic phosphodiesterase, 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide, ZINC ION, ... (6 entities in total)
• 機能のキーワード: phosphodiesterase isoform 5, avanafil, enzyme-drug complex, co-crystallization, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 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: 39660.59

構造登録者

Hsieh, C.M.,Chan, N.L. (登録日: 2019-10-28, 公開日: 2020-09-02, 最終更新日: 2023-11-22)

• 主引用文献: Hsieh, C.M.,Chen, C.Y.,Chern, J.W.,Chan, N.L.; Structure of Human Phosphodiesterase 5A1 Complexed with Avanafil Reveals Molecular Basis of Isoform Selectivity and Guidelines for Targeting alpha-Helix Backbone Oxygen by Halogen Bonding.; J.Med.Chem., 63:8485-8494, 2020; PubMed: 32663396; DOI: 10.1021/acs.jmedchem.0c00853

実験手法

X-RAY DIFFRACTION (1.92 Å)