1M51

PEPCK complex with a GTP-competitive inhibitor

1M51 の概要

• エントリーDOI: 10.2210/pdb1m51/pdb
• 関連するPDBエントリー: 1KHB
• 分子名称: phosphoenolpyruvate carboxykinase, cytosolic, MANGANESE (II) ION, ACETATE ION, ... (6 entities in total)
• 機能のキーワード: gluconeogenesis, xanthine, inhibitor, lyase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P35558
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 70163.28

構造登録者

Foley, L.H.,Wang, P.,Dunten, P.,Wertheimer, S.J. (登録日: 2002-07-06, 公開日: 2003-09-30, 最終更新日: 2024-02-14)

主引用文献

Foley, L.H.,Wang, P.,Dunten, P.,Ramsey, G.,Gubler, M.-L.,Wertheimer, S.J.
X-ray Structures of two xanthine inhibitors bound to PEPCK and N-3 modifications of substituted 1,8-Dibenzylxanthines
Bioorg.Med.Chem.Lett., 13:3871-3874, 2003

PubMed Abstract: The analysis of the X-ray structures of two xanthine inhibitors bound to PEPCK and a comparison to the X-ray structure of GTP bound to PEPCK are reported. The SAR at N-1, N-7 and developing SAR at C-8 are consistent with information gained from the X-ray structures of compounds 1 and 2 bound to PEPCK. Representative N-3 modifications of compound 2 that led to the discovery of 3-cyclopropylmethyl and its carboxy analogue as optimal N-3 groups are presented.

PubMed: 14552798
DOI: 10.1016/S0960-894X(03)00723-6

実験手法

X-RAY DIFFRACTION (2.25 Å)