4NVG

Predicting protein conformational response in prospective ligand discovery

4NVG の概要

• エントリーDOI: 10.2210/pdb4nvg/pdb
• 関連するPDBエントリー: 4NVA 4NVB 4NVC 4NVD 4NVE 4NVF 4NVH 4NVI 4NVJ 4NVK 4NVL 4NVM 4NVN 4NVO
• 分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ethyl 4-aminoquinoline-3-carboxylate, ... (6 entities in total)
• 機能のキーワード: model system, flexibility, dynamic, loop, side-chains, energy penalty, occupancy, boltzmann weights, flexible docking, ligand binding, oxidoreductase
• 由来する生物種: Saccharomyces cerevisiae (Baker's yeast)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34146.48

構造登録者

Fischer, M.,Fraser, J.S. (登録日: 2013-12-05, 公開日: 2013-12-18, 最終更新日: 2024-02-28)

• 主引用文献: Fischer, M.,Coleman, R.G.,Fraser, J.S.,Shoichet, B.K.; Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.; Nat Chem, 6:575-583, 2014; PubMed: 24950326; DOI: 10.1038/nchem.1954

実験手法

X-RAY DIFFRACTION (1.742 Å)