› 5wiu

X-ray diffraction
1.96Å resolution

Structure of the human D4 Dopamine receptor in complex with Nemonapride

Released:
DOI: 10.2210/pdb5wiu/pdb
PDB entry 5wiu coloured by chain, front view.
PDB entry 5wiu coloured by chain, side view.
PDB entry 5wiu coloured by chain, top view.
Source organisms:
Primary publication:
D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Wang S, Wacker D, Levit A, Che T, Betz RM, McCorvy JD, Venkatakrishnan AJ, Huang XP, Dror RO, Shoichet BK, Roth BL
Science 358 381-386 (2017)
PMID: 29051383

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-142051 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D(4) dopamine receptor; Soluble cytochrome b562 Chain: A
Molecule details ›
Chain: A
Length: 422 amino acids
Theoretical weight: 45.31 KDa
Source organisms: Expression system: Insecta
UniProt:
  • Canonical: P21917 (Residues: 1-228, 335-419; Coverage: 75%)
  • Canonical: P0ABE7 (Residues: 24-128; Coverage: 99%)
Gene names: DRD4, cybC
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand AQD 1 x AQD
Ligand PO4 3 x PO4
Ligand OLA 9 x OLA
Ligand PEG 9 x PEG
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: C2221
Unit cell:
a: 67.688Å b: 164.047Å c: 84.129Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.206 0.205 0.236
Expression system: Insecta

Quick links

Citations

19 review citations

A practical guide to large-scale docking.
Bender et al. (2021)
18 more

41 mentions without citation

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