6YVE

Glycogen phosphorylase b in complex with pelargonidin 3-O-beta-D-glucoside

これはPDB形式変換不可エントリーです。

6YVE の概要

• エントリーDOI: 10.2210/pdb6yve/pdb
• 分子名称: Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, DIMETHYL SULFOXIDE, ... (5 entities in total)
• 機能のキーワード: transferase
• 由来する生物種: Oryctolagus cuniculus (Rabbit)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 98182.07

構造登録者

Drakou, C.E.,Gardeli, C.,Tsialtas, I.,Alexopoulos, S.,Mallouchos, A.,Koulas, S.,Tsagkarakou, A.,Asimakopoulos, D.,Leonidas, D.D.,Psarra, A.M.,Skamnaki, V.T. (登録日: 2020-04-28, 公開日: 2020-11-18, 最終更新日: 2024-01-24)

主引用文献

Drakou, C.E.,Gardeli, C.,Tsialtas, I.,Alexopoulos, S.,Mallouchos, A.,Koulas, S.M.,Tsagkarakou, A.S.,Asimakopoulos, D.,Leonidas, D.D.,Psarra, A.G.,Skamnaki, V.T.
Affinity Crystallography Reveals Binding of Pomegranate Juice Anthocyanins at the Inhibitor Site of Glycogen Phosphorylase: The Contribution of a Sugar Moiety to Potency and Its Implications to the Binding Mode.
J.Agric.Food Chem., 68:10191-10199, 2020

PubMed Abstract: Anthocyanins (ACNs) are dietary phytochemicals with an acknowledged therapeutic significance. Pomegranate juice (PJ) is a rich source of ACNs with potential applications in nutraceutical development. Glycogen phosphorylase (GP) catalyzes the first step of glycogenolysis and is a molecular target for the development of antihyperglycemics. The inhibitory potential of the ACN fraction of PJ is assessed through a combination of assays, investigation in hepatic cells, and X-ray crystallography studies. The ACN extract potently inhibits muscle and liver isoforms of GP. Affinity crystallography reveals the structural basis of inhibition through the binding of pelargonidin-3--glucoside at the GP inhibitor site. The glucopyranose moiety is revealed as a major determinant of potency as it promotes a structural binding mode different from that observed for other flavonoids. This inhibitory effect of the ACN scaffold and its binding mode at the GP inhibitor binding site may have significant implications for future structure-based drug design endeavors.

PubMed: 32840370
DOI: 10.1021/acs.jafc.0c04205

実験手法

X-RAY DIFFRACTION (2.1 Å)