› 5l7i

X-ray diffraction
3.3Å resolution

Structure of human Smoothened in complex with Vismodegib

Released:
DOI: 10.2210/pdb5l7i/pdb
PDB entry 5l7i coloured by chain, front view.
PDB entry 5l7i coloured by chain, side view.
PDB entry 5l7i coloured by chain, top view.
Source organisms:
Primary publication:
Structural basis of Smoothened regulation by its extracellular domains.
Byrne EFX, Sircar R, Miller PS, Hedger G, Luchetti G, Nachtergaele S, Tully MD, Mydock-McGrane L, Covey DF, Rambo RP, Sansom MSP, Newstead S, Rohatgi R, Siebold C
Nature 535 517-522 (2016)
PMID: 27437577

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-142137 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein smoothened; Soluble cytochrome b562 Chains: A, B
Molecule details ›
Chains: A, B
Length: 638 amino acids
Theoretical weight: 70.78 KDa
Source organisms: Expression system: Homo sapiens
UniProt:
  • Canonical: Q99835 (Residues: 32-428, 443-555; Coverage: 67%)
  • Canonical: P0ABE7 (Residues: 23-127; Coverage: 99%)
Gene names: SMO, SMOH, cybC
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand NAG 1 x NAG
Ligand VIS 2 x VIS
Ligand NA 1 x NA
Ligand MPG 2 x MPG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P1
Unit cell:
a: 52.82Å b: 71.29Å c: 107.02Å
α: 91.53° β: 98.2° γ: 105.92°
R-values:
R R work R free
0.245 0.245 0.257
Expression system: Homo sapiens

Quick links

Citations

55 review citations

Hedgehog Signaling: From Basic Biology to Cancer Therapy.
Wu et al. (2017)
54 more

33 mentions without citation

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