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Vwf tubules of D1D2D'D3 domains

Analyse Vwf tubules of D1D2D'D3 domains in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7PNF
Type
protein
Length
2,282 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Von willebrand factor
UniProt
P04275
Ligands
NAG, BMA, CA
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 13% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, DVon willebrand factorprotein114113% helix, 20% strandP04275

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains B, D
  • BMA · beta-D-mannopyranose · sugar · 2 copies
  • CA · Calcium ion · metal · 6 copies · chains B, D

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

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111110.840.85124empty
211480.830.84106empty
36820.780.8372empty
48360.780.8175empty
57380.750.8186empty

Interfaces

1 interface between chains.

  • B–D · 1466 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 108 disulfide, 10 glycan (disulfide, N-glycosylation).

Compared structures

  • 7PNF · VWF Tubules of D1D2D'D3 domains · the same entry in another collection · chain B against B, TM-score 1.00

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