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Crystal structure of the TV3 mutant F63W

Analyse Crystal structure of the TV3 mutant F63W in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3UL7
Type
protein
Length
276 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Toll-like receptor 4, variable lymphocyte receptor B
UniProt
O00206, Q4G1L2
Ligands
NAG, BMA, FUL, SO4
Pockets
1 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AToll-like receptor 4, variable lymphocyte receptor Bprotein2769% helix, 18% strandO00206, Q4G1L2

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
  • BMA · beta-D-mannopyranose · sugar
  • FUL · beta-L-fucopyranose · sugar
  • SO4 · Sulfate ion · ion · 3 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1530.360.7912empty

Modifications

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

Compared structures

  • 3UL7 · Crystal structure of the TV3 mutant F63W · the same entry in another collection · chain A against A, TM-score 1.00
  • O00206 · AlphaFold monomer V2.0 prediction for toll-like receptor 4 (O00206) · a predicted model of the same protein · chain A against A, TM-score 0.88

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