› 5v56

X-ray diffraction
2.9Å resolution

2.9A XFEL structure of the multi-domain human smoothened receptor (with E194M mutation) in complex with TC114

Released:
DOI: 10.2210/pdb5v56/pdb
PDB entry 5v56 coloured by chain, front view.
PDB entry 5v56 coloured by chain, side view.
PDB entry 5v56 coloured by chain, top view.
Source organisms:
Primary publication:
Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand.
Zhang X, Zhao F, Wu Y, Yang J, Han GW, Zhao S, Ishchenko A, Ye L, Lin X, Ding K, Dharmarajan V, Griffin PR, Gati C, Nelson G, Hunter MS, Hanson MA, Cherezov V, Stevens RC, Tan W, Tao H, Xu F
Nat Commun 8 15383 (2017)
PMID: 28513578

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-132397 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Flavodoxin; Protein smoothened Chains: A, B
Molecule details ›
Chains: A, B
Length: 653 amino acids
Theoretical weight: 72.58 KDa
Source organisms: Expression system: Homo sapiens
UniProt:
  • Canonical: Q99835 (Residues: 53-434, 444-558; Coverage: 65%)
  • Canonical: P00323 (Residues: 3-148; Coverage: 99%)
Gene names: DVU_2680, SMO, SMOH
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand 836 2 x 836
Ligand FMN 2 x FMN
Ligand NAG 1 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLAC LCLS BEAMLINE CXI
Spacegroup: P21
Unit cell:
a: 40.59Å b: 349.54Å c: 61.76Å
α: 90° β: 101.1° γ: 90°
R-values:
R R work R free
0.219 0.218 0.239
Expression system: Homo sapiens

Quick links

Citations

19 review citations

Biochemical mechanisms of vertebrate hedgehog signaling.
Kong et al. (2019)
18 more

13 mentions without citation

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