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MolNFT v1 · #78953 · protein

The structure of a beta propeller domain in complex with peptide S

3SOV · Low-density lipoprotein receptor-related protein 6: “The structure of a beta propeller domain in complex with peptide S”. X-ray diffraction, 2 ligands (FUC, NAG), 2 pockets (best druggability 0.77). MolNFT v1 #78953 on GenesisL1: 3D…

PDB
3SOV
Type
protein
Length
313 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Low-density lipoprotein receptor-related protein 6; Sclerostin
UniProt
O75581, Q9BQB4
Ligands
FUC, NAG
Pockets
2 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALow-density lipoprotein receptor-related protein 6protein3064% helix, 49% strandO75581
ZSclerostinprotein70% helix, 0% strandQ9BQB4

Ligands and binding sites

  • FUC · alpha-L-fucopyranose · sugar · 4 copies · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
  • GOL · Glycerol · additive · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1930.770.9831empty
2500.340.7910GOL

Interfaces

1 interface between chains.

  • A–Z · 439 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 3SOV · The structure of a beta propeller domain in complex with peptide S · the same entry in another collection · chain A against A, TM-score 1.00
  • O75581 · AlphaFold monomer V2.0 prediction for low-density lipoprotein receptor-related protein 6… · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q9BQB4 · AlphaFold monomer V2.0 prediction for sclerostin (Q9BQB4) · a predicted model of the same protein · chain Z against A, TM-score 0.46

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