› 7xrr

X-ray diffraction
2.89Å resolution

Crystal structure of the human OX2R bound to the insomnia drug lemborexant.

Released:
DOI: 10.2210/pdb7xrr/pdb
PDB entry 7xrr coloured by chain, front view.
PDB entry 7xrr coloured by chain, side view.
PDB entry 7xrr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular basis for anti-insomnia drug design from structure of lemborexant-bound orexin 2 receptor.
Asada H, Im D, Hotta Y, Yasuda S, Murata T, Suno R, Iwata S
Structure (2022)
PMID: 36417909

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-129033 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Orexin receptor type 2 Chain: A
Molecule details ›
Chain: A
Length: 341 amino acids
Theoretical weight: 39.56 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O43614 (Residues: 33-394; Coverage: 75%)
Gene name: HCRTR2
Sequence domains: 7 transmembrane receptor (rhodopsin family)

Ligands and Environments

1 bound ligand:
Ligand NRK 1 x NRK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL32XU
Spacegroup: P212121
Unit cell:
a: 49.59Å b: 90.23Å c: 112.32Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.276 0.275 0.287
Expression system: Spodoptera frugiperda

Quick links

Citations

1 mention without citation

Synthesis of Pyrrolo[3,4-b]pyridin-5-ones via Ugi-Zhu Reaction and In Vitro-In Silico Studies against Breast Carcinoma.
Morales-Salazar et al. (2023)