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MolNFT v1 · #182974 · protein

LRP6_E1 in complex with lr-eet-3.5

7NAM · Low-density lipoprotein receptor-related protein 6: “LRP6_E1 in complex with lr-eet-3.5”. X-ray diffraction, 4 ligands (NAG, FUC, MAN), 1 pocket (best druggability 0.76). MolNFT v1 #182974 on GenesisL1: 3D structure, binding sites…

PDB
7NAM
Type
protein
Length
339 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Low-density lipoprotein receptor-related protein 6; Trypsin inhibitor 2
UniProt
O75581
Ligands
NAG, FUC, MAN, NA
Pockets
1 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALow-density lipoprotein receptor-related protein 6protein3073% helix, 49% strandO75581
BTrypsin inhibitor 2protein329% helix, 13% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • FUC · alpha-L-fucopyranose · sugar · 4 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A
  • NA · Sodium ion · metal · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1920.760.9732NA

Interfaces

1 interface between chains.

  • A–B · 596 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 7NAM · LRP6_E1 in complex with Lr-EET-3.5 · 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

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