5L8N

crystal structure of human FABP6 protein with fragment 1

Summary for 5L8N

• Entry DOI: 10.2210/pdb5l8n/pdb
• Descriptor: Gastrotropin, 5,6-dimethyl-1~{H}-benzimidazol-2-amine, DI(HYDROXYETHYL)ETHER, ... (5 entities in total)
• Functional Keywords: fabp6, fatty acid binding protein 6, ileal bile acid binding protein, i-babp, ileal, gastrotropin, fragments, lipid binding protein
• Biological source: Homo sapiens (Human)
• Cellular location: Isoform 1: Cytoplasm . Isoform 2: Cytoplasm : P51161
• Total number of polymer chains: 3
• Total formula weight: 44240.98

Authors

Hendrick, A.,Mueller, I.,Leonard, P.M.,Davenport, R.,Mitchell, P. (deposition date: 2016-06-08, release date: 2016-08-24, Last modification date: 2024-01-10)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (2.12 Å)