› 7m94

X-ray diffraction
2.71Å resolution

Bovine sigma-2 receptor bound to Roluperidone

Released:
DOI: 10.2210/pdb7m94/pdb
PDB entry 7m94 coloured by chain, front view.
PDB entry 7m94 coloured by chain, side view.
PDB entry 7m94 coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Structures of the σ2 receptor enable docking for bioactive ligand discovery.
Alon A, Lyu J, Braz JM, Tummino TA, Craik V, O'Meara MJ, Webb CM, Radchenko DS, Moroz YS, Huang XP, Liu Y, Roth BL, Irwin JJ, Basbaum AI, Shoichet BK, Kruse AC
Nature 600 759-764 (2021)
PMID: 34880501

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174773 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sigma intracellular receptor 2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 174 amino acids
Theoretical weight: 20.23 KDa
Source organism: Bos taurus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q3MHW7 (Residues: 1-168; Coverage: 96%)
Gene names: S2R, TMEM97
Sequence domains: EXPERA (EXPanded EBP superfamily)

Ligands and Environments

2 bound ligands:
Ligand YT7 4 x YT7
Ligand OLC 21 x OLC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P21
Unit cell:
a: 69.05Å b: 54.161Å c: 99.699Å
α: 90° β: 91.093° γ: 90°
R-values:
R R work R free
0.217 0.213 0.254
Expression system: Spodoptera frugiperda

Quick links

Citations

13 review citations

"Selective" serotonin 5-HT2A receptor antagonists.
Casey et al. (2022)
12 more

1 mention without citation

BS148 Reduces the Aggressiveness of Metastatic Melanoma via Sigma-2 Receptor Targeting.
Sorbi et al. (2023)