4AZM

Human epidermal fatty acid-binding protein (FABP5) in complex with the inhibitor BMS-309413

4AZM の概要

• エントリーDOI: 10.2210/pdb4azm/pdb
• 関連するPDBエントリー: 1B56 1JJJ 4AZN 4AZO 4AZP 4AZQ 4AZR
• 分子名称: FATTY ACID-BINDING PROTEIN, EPIDERMAL, ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: lipid binding protein, lipid carrier protein, endocannabinoid, beta-barrel, beta-clamshell, domain swapping
• 由来する生物種: HOMO SAPIENS (HUMAN)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 31976.66

構造登録者

Sanson, B.,Wang, T.,Sun, J.,Kaczocha, M.,Ojima, I.,Deutsch, D.,Li, H. (登録日: 2012-06-26, 公開日: 2013-08-07, 最終更新日: 2023-12-20)

主引用文献

Sanson, B.,Wang, T.,Sun, J.,Wang, L.,Kaczocha, M.,Ojima, I.,Deutsch, D.,Li, H.
Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70:290-, 2014

PubMed Abstract: In addition to binding intracellular fatty acids, fatty-acid-binding proteins (FABPs) have recently been reported to also transport the endocannabinoids anandamide (AEA) and 2-arachidonoylglycerol (2-AG), arachidonic acid derivatives that function as neurotransmitters and mediate a diverse set of physiological and psychological processes. To understand how the endocannabinoids bind to FABPs, the crystal structures of FABP5 in complex with AEA, 2-AG and the inhibitor BMS-309403 were determined. These ligands are shown to interact primarily with the substrate-binding pocket via hydrophobic interactions as well as a common hydrogen bond to the Tyr131 residue. This work advances our understanding of FABP5-endocannabinoid interactions and may be useful for future efforts in the development of small-molecule inhibitors to raise endocannabinoid levels.

PubMed: 24531463
DOI: 10.1107/S1399004713026795

実験手法

X-RAY DIFFRACTION (2.75 Å)