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MolNFT v1 · #165130 · protein

Crystal structure of the human FUT8 in complex with GDP and a biantennary complex N-glycan

6TKV · Alpha-(1,6)-fucosyltransferase: “Crystal structure of the human FUT8 in complex with GDP and a biantennary complex N-glycan”. X-ray diffraction, 4 ligands (GDP, NAG, MAN), 8 pockets (best druggability 0.70). MolNFT v1 #165130 on…

PDB
6TKV
Type
protein
Length
921 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpha-(1,6)-fucosyltransferase
EC
2.4.1.68
UniProt
Q9BYC5
Ligands
GDP, NAG, MAN, BMA
Pockets
8 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlpha-(1,6)-fucosyltransferase (EC 2.4.1.68)protein46846% helix, 17% strandQ9BYC5
BAlpha-(1,6)-fucosyltransferase (EC 2.4.1.68)protein45345% helix, 17% strandQ9BYC5

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
  • MAN · alpha-D-mannopyranose · sugar · 4 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 2 copies · chains A, B
  • GOL · Glycerol · additive · 17 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18200.700.7676GOL
21970.690.8730GDP, GOL
34530.630.7743empty
41900.600.8229GOL
51990.590.8136empty

Interfaces

1 interface between chains.

  • A–B · 474 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 6TKV · Crystal structure of the human FUT8 in complex with GDP and a biantennary complex N-glycan · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9BYC5 · AlphaFold monomer V2.0 prediction for alpha-(1,6)-fucosyltransferase (Q9BYC5) · a predicted model of the same protein · chain A against A, TM-score 1.00

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