5L8N

crystal structure of human FABP6 protein with fragment 1

5L8N の概要

• エントリーDOI: 10.2210/pdb5l8n/pdb
• 分子名称: Gastrotropin, 5,6-dimethyl-1~{H}-benzimidazol-2-amine, DI(HYDROXYETHYL)ETHER, ... (5 entities in total)
• 機能のキーワード: fabp6, fatty acid binding protein 6, ileal bile acid binding protein, i-babp, ileal, gastrotropin, fragments, lipid binding protein
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Isoform 1: Cytoplasm . Isoform 2: Cytoplasm : P51161
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 44240.98

構造登録者

Hendrick, A.,Mueller, I.,Leonard, P.M.,Davenport, R.,Mitchell, P. (登録日: 2016-06-08, 公開日: 2016-08-24, 最終更新日: 2024-01-10)

主引用文献

Hendrick, A.G.,Muller, I.,Willems, H.,Leonard, P.M.,Irving, S.,Davenport, R.,Ito, T.,Reeves, J.,Wright, S.,Allen, V.,Wilkinson, S.,Heffron, H.,Bazin, R.,Turney, J.,Mitchell, P.J.
Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59:8094-8102, 2016

PubMed Abstract: Fatty acid binding protein 6 (FABP6) is a potential drug discovery target, which, if inhibited, may have a therapeutic benefit for the treatment of diabetes. Currently, there are no published inhibitors of FABP6, and with the target believed to be amenable to fragment-based drug discovery, a structurally enabled program was initiated. This program successfully identified fragment hits using the surface plasmon resonance (SPR) platform. Several hits were validated with SAR and were found to be displaced by the natural ligand taurocholate. We report the first crystal structure of human FABP6 in the unbound form, in complex with cholate, and with one of the key fragments.

PubMed: 27500412
DOI: 10.1021/acs.jmedchem.6b00869

実験手法

X-RAY DIFFRACTION (2.12 Å)