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Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 14C

Analyse Crystal structure of human TLR8 ectodomain bound to small molecule antagonist… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6V9U
Type
protein
Length
1,473 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9NR97
Ligands
QSM, NAG, MAN, BMA

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein738—Q9NR97
B—protein735—Q9NR97

Ligands and binding sites

  • QSM · 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole · ligand · 2 copies · chains A, B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 29 copies · chains A, B
  • MAN · alpha-D-mannopyranose · sugar · 8 copies · chains B
  • BMA · beta-D-mannopyranose · sugar · 5 copies · chains A, B

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

Compared structures

  • 6V9U · Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 14c · the same entry in another collection · chain A against A, TM-score 1.00

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