6TOT: Crystal structure of the Orexin-1 receptor in complex with lemborexant

PDB ID: 6TOTDownload
MMDB ID: 183206
PDB Deposition Date: 2019/12/11
Updated in MMDB: 2020/03
Experimental Method:
x-ray diffraction
Resolution: 2.22  Å
Source Organism:
Similar Structures:
Biological Unit for 6TOT: monomeric; determined by author
Molecular Components in 6TOT
Label Count Molecule
Protein (1 molecule)
1
Orexin Receptor Type 1
(Gene symbol: HCRTR1)
Molecule annotation
Chemicals and Non-standard biopolymers (14 molecules)
1
1
(1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide(1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
2
1
TETRAETHYLENE GLYCOLTETRAETHYLENE GLYCOL
3
2
SULFATE IONSULFATE ION
4
8
octyl 1-thio-beta-D-glucopyranosideoctyl 1-thio-beta-D-glucopyranoside
5
2
(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303