4FLI

Human MetAP1 with bengamide analog Y16, in Mn form

4FLI の概要

• エントリーDOI: 10.2210/pdb4fli/pdb
• 関連するPDBエントリー: 3PKA 3PKB 3PKC 3PKD 3PKE 4FLJ 4FLK 4FLL
• 分子名称: Methionine aminopeptidase 1, MANGANESE (II) ION, (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, ... (5 entities in total)
• 機能のキーワード: enzyme-inhibitor complex, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm : P53582
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37296.12

構造登録者

Ye, Q.Z.,Xu, W. (登録日: 2012-06-14, 公開日: 2012-09-19, 最終更新日: 2024-02-28)

主引用文献

Xu, W.,Lu, J.P.,Ye, Q.Z.
Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55:8021-8027, 2012

PubMed Abstract: Natural-product-derived bengamides possess potent antiproliferative activity and target human methionine aminopeptidases (MetAPs) for their cellular effects. Several derivatives were designed, synthesized, and evaluated as MetAP inhibitors. Here, we present four new X-ray structures of human MetAP1 in complex with the inhibitors. Together with the previous structures of bengamide derivatives with human MetAP2 and tubercular MtMetAP1c, analysis of the interactions of these inhibitors at the active site provides structural basis for further modification of these bengamide inhibitors for improved potency and selectivity as anticancer and antibacterial therapeutics.

PubMed: 22913487
DOI: 10.1021/jm3008695

実験手法

X-RAY DIFFRACTION (1.55 Å)