Crystal structure of the orexin-1 receptor in complex with compound 14

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• SOG · octyl 1-thio-beta-D-glucopyranoside · ligand · 10 copies · chains A, B
• NVH · 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl) phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one · ligand · 2 copies · chains A, B
• PGW · (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy) phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 4 copies · chains A, B
• PG4 · Tetraethylene glycol · additive · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

• 6TQ6 · Crystal structure of the Orexin-1 receptor in complex with Compound 14 · the same entry in another collection · chain A against A, TM-score 1.00
• O43613 · AlphaFold monomer V2.0 prediction for orexin receptor type 1 (O43613) · a predicted model of the same protein · chain B against A, TM-score 0.96

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt O43613
• Elsewhere: RCSB PDB 6TQ6 · PDBe 6TQ6 · UniProt O43613