› 4jkv

X-ray diffraction
2.45Å resolution

Structure of the human smoothened 7TM receptor in complex with an antitumor agent

Released:
DOI: 10.2210/pdb4jkv/pdb
PDB entry 4jkv coloured by chain, front view.
PDB entry 4jkv coloured by chain, side view.
PDB entry 4jkv coloured by chain, top view.
Source organisms:
Primary publication:
Structure of the human smoothened receptor bound to an antitumour agent.
Wang C, Wu H, Katritch V, Han GW, Huang XP, Liu W, Siu FY, Roth BL, Cherezov V, Stevens RC
Nature 497 338-43 (2013)
PMID: 23636324

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-142138 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein smoothened; Soluble cytochrome b562 Chains: A, B
Molecule details ›
Chains: A, B
Length: 475 amino acids
Theoretical weight: 53.12 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P0ABE7 (Residues: 23-127; Coverage: 99%)
  • Canonical: Q99835 (Residues: 190-555; Coverage: 48%)
Gene names: SMO, SMOH, cybC
Sequence domains:
Structure domains:

Ligands and Environments

6 bound ligands:
Ligand 1KS 2 x 1KS
Ligand OLC 5 x OLC
Ligand OLA 3 x OLA
Ligand PEG 2 x PEG
Ligand PGE 1 x PGE
Ligand PG4 1 x PG4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P21
Unit cell:
a: 75.444Å b: 98.177Å c: 84.293Å
α: 90° β: 103.27° γ: 90°
R-values:
R R work R free
0.201 0.2 0.231
Expression system: Spodoptera frugiperda

Quick links

Citations

98 review citations

G protein-coupled receptor oligomerization revisited: functional and pharmacological perspectives.
Ferré et al. (2014)
97 more

67 mentions without citation

Generic GPCR residue numbers - aligning topology maps while minding the gaps.
Isberg et al. (2015)
66 more