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Cryo-EM structure of the unliganded mSMO-PGS2 in a lipidic environment

Analyse Cryo-EM structure of the unliganded mSMO-PGS2 in a lipidic environment in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
8CXO
Type
protein
Length
551 residues
Chains
1
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.7
Source
Mus musculus; Pyrococcus abyssi (strain GE5 / Orsay)
Molecule
Smoothened homolog, GlgA glycogen synthase chimera
UniProt
P56726, Q9V2J8
Ligands
CLR
Pockets
5 · best druggability 0.77

Structure

electron microscopy · resolution 3.7 · 1 distinct chain · 58% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASmoothened homolog, GlgA glycogen synthase chimeraprotein55158% helix, 9% strandP56726, Q9V2J8

Ligands and binding sites

  • CLR · Cholesterol · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1740.770.9923empty
23470.760.8642empty
34150.690.8151empty
43910.620.7745empty
5980.400.7618empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 8CXO · Cryo-EM structure of the unliganded msmo-PGS2 in a lipidic environment · the same entry in another collection · chain A against A, TM-score 1.00
  • P56726 · AlphaFold monomer V2.0 prediction for smoothened homolog (P56726) · a predicted model of the same protein · chain A against A, TM-score 0.62

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