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MolNFT v1 · #189230 · protein

Cryo-EM structure of patched in lipid nanodisc - the wildtype, 3.5 ångström (re-processed with dataset of 7DZQ)

7V6Y · Protein patched homolog 1,PROTEIN patched homolog 1: “Cryo-EM structure of patched in lipid nanodisc - the wildtype, 3.5 ångström (re-processed with dataset of…”. Electron microscopy, 3 ligands (CLR, 5VI, NAG), 9 pockets (best…

PDB
7V6Y
Type
protein
Length
990 residues
Chains
1
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein patched homolog 1,PROTEIN patched homolog 1
UniProt
Q61115
Ligands
CLR, 5VI, NAG
Pockets
9 · best druggability 0.87

Structure

electron microscopy · 1 distinct chain · 57% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein patched homolog 1,PROTEIN patched homolog 1protein99057% helix, 6% strandQ61115

Ligands and binding sites

  • CLR · Cholesterol · ligand · 2 copies · chains A
  • 5VI · (2S)-2-azanyl-3-[[(2S)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19990.870.8793CLR, 5VI
2840.740.9621empty
3730.730.9725empty
43400.590.7741empty
5980.400.7719empty

Modifications

Observed in the structure: 3 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 7V6Y · Cryo-EM structure of Patched in lipid nanodisc - the wildtype, 3.5 angstrom (re-processed… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q61115 · AlphaFold monomer V2.0 prediction for protein patched homolog 1 (Q61115) · a predicted model of the same protein · chain A against A, TM-score 0.99

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