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Structure of LRP6 P3E3P4E4 in complex with vhh L-P2-B10

Analyse Structure of LRP6 P3E3P4E4 in complex with vhh L-P2-B10 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6H15
Type
protein
Length
1,462 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Low-density lipoprotein receptor-related protein 6; Vhh L-P2-B10
UniProt
O75581
Ligands
NAG, BMA, MAN, CL
Pockets
13 · best druggability 0.83

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BLow-density lipoprotein receptor-related protein 6protein6083% helix, 49% strandO75581
C, DVhh L-P2-B10protein12310% helix, 46% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 15 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 3 copies
  • MAN · alpha-D-mannopyranose · sugar
  • CL · Chloride ion · ion · 7 copies · chains A, C, B

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

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12180.830.9634empty
21990.830.9733empty
36590.800.8558empty
45060.780.8547empty
511240.750.78122CL

Interfaces

4 interfaces between chains.

  • D–B · 887 Ų buried · 19 hydrogen bonds · protein-protein
  • A–C · 885 Ų buried · 17 hydrogen bonds · protein-protein
  • A–D · 536 Ų buried · 5 hydrogen bonds · protein-protein
  • C–B · 531 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide, 10 glycan (disulfide, N-glycosylation).

Compared structures

  • 6H15 · Structure of LRP6 P3E3P4E4 in complex with VHH L-P2-B10 · 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 0.95

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