› 5ws3

X-ray diffraction
2.3Å resolution

Crystal structures of human orexin 2 receptor bound to the selective antagonist EMPA determined by serial femtosecond crystallography at SACLA

Released:
DOI: 10.2210/pdb5ws3/pdb
PDB entry 5ws3 coloured by chain, front view.
PDB entry 5ws3 coloured by chain, side view.
PDB entry 5ws3 coloured by chain, top view.
Source organisms:
Primary publication:
Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA.
Suno R, Kimura KT, Nakane T, Yamashita K, Wang J, Fujiwara T, Yamanaka Y, Im D, Horita S, Tsujimoto H, Tawaramoto MS, Hirokawa T, Nango E, Tono K, Kameshima T, Hatsui T, Joti Y, Yabashi M, Shimamoto K, Yamamoto M, Rosenbaum DM, Iwata S, Shimamura T, Kobayashi T
Structure 26 7-19.e5 (2018)
PMID: 29225076

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-129032 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Orexin receptor type 2; Starch synthase catalytic domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 560 amino acids
Theoretical weight: 64.2 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O43614 (Residues: 3-254, 294-388; Coverage: 78%)
  • Canonical: Q9V2J8 (Residues: 218-413; Coverage: 45%)
Gene names: HCRTR2, PAB2292
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand 7MA 1 x 7MA
Ligand OLA 4 x OLA
Ligand 1PE 2 x 1PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SACLA BEAMLINE BL3
Spacegroup: C2
Unit cell:
a: 97.51Å b: 75.98Å c: 96.1Å
α: 90° β: 112.3° γ: 90°
R-values:
R R work R free
0.2 0.199 0.219
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

Harnessing Ion-Binding Sites for GPCR Pharmacology.
Zarzycka et al. (2019)
4 more

6 mentions without citation

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