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MolNFT v1 · #78435 · protein

Crystal structure of LRP6-E3E4

3S8Z · Low-density lipoprotein receptor-related protein 6: “Crystal structure of LRP6-E3E4”. X-ray diffraction, 1 ligand (NAG), 4 pockets (best druggability 0.81). MolNFT v1 #78435 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
3S8Z
Type
protein
Length
606 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Low-density lipoprotein receptor-related protein 6
UniProt
O75581
Ligands
NAG
Pockets
4 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALow-density lipoprotein receptor-related protein 6protein6063% helix, 48% strandO75581

Ligands and binding sites

  • 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

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12760.810.9339empty
25600.790.8662empty
35670.680.7873empty
41690.480.7725empty

Modifications

Observed in the structure: 6 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

  • 3S8Z · Crystal structure of LRP6-E3E4 · 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 0.98

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