› 4zjc

X-ray diffraction
2.83Å resolution

Structures of the human OX1 orexin receptor bound to selective and dual antagonists

Released:
DOI: 10.2210/pdb4zjc/pdb
PDB entry 4zjc coloured by chain, front view.
PDB entry 4zjc coloured by chain, side view.
PDB entry 4zjc coloured by chain, top view.
Source organisms:
Primary publication:
Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors.
Yin J, Babaoglu K, Brautigam CA, Clark L, Shao Z, Scheuermann TH, Harrell CM, Gotter AL, Roecker AJ, Winrow CJ, Renger JJ, Coleman PJ, Rosenbaum DM
Nat Struct Mol Biol 23 293-9 (2016)
PMID: 26950369

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-129030 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Orexin/Hypocretin receptor type 1; Starch synthase catalytic domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 553 amino acids
Theoretical weight: 62.69 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O43613 (Residues: 1-246, 288-380; Coverage: 80%)
  • Canonical: Q9V2J8 (Residues: 218-413; Coverage: 45%)
Gene names: HCRTR1, PAB2292
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand 4OT 1 x 4OT
Ligand OLA 2 x OLA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P212121
Unit cell:
a: 63.431Å b: 66.466Å c: 182.129Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.219 0.216 0.262
Expression system: Spodoptera frugiperda

Quick links

Citations

24 review citations

Drugs for Insomnia beyond Benzodiazepines: Pharmacology, Clinical Applications, and Discovery.
Atkin et al. (2018)
23 more

10 mentions without citation

G protein-coupled receptors: structure- and function-based drug discovery.
Yang et al. (2021)
9 more