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Crystal structure of ALPHA1,3-fucosyltransferase with GDP-fucose

Analyse Crystal structure of ALPHA1,3-fucosyltransferase with GDP-fucose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2NZY
Type
protein
Length
1,032 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ALPHA1,3-fucosyltransferase
EC
2.4.1.152
UniProt
O30511
Ligands
GDP, FUC, SO4
Pockets
17 · best druggability 0.71

Structure

x-ray diffraction · 3 distinct chains · 37% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AALPHA1,3-fucosyltransferase (EC 2.4.1.152)protein34336% helix, 16% strandO30511
BALPHA1,3-fucosyltransferase (EC 2.4.1.152)protein33837% helix, 17% strandO30511
CALPHA1,3-fucosyltransferase (EC 2.4.1.152)protein35139% helix, 16% strandO30511

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · 3 copies · chains A, B, C
  • FUC · alpha-L-fucopyranose · sugar · 3 copies · chains A, B, C
  • SO4 · Sulfate ion · ion · 2 copies · chains B, C

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

Pockets

17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14740.710.8037empty
24500.700.8156empty
32140.640.8336empty
42680.560.7739FUC, GDP
51930.550.7922empty

Interfaces

3 interfaces between chains.

  • A–C · 958 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 789 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 389 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 2NZY · Crystal Structure of alpha1,3-Fucosyltransferase with GDP-fucose · the same entry in another collection · chain A against A, TM-score 1.00
  • O30511 · AlphaFold monomer V2.0 prediction for alpha-(1,3)-fucosyltransferase fuct (O30511) · a predicted model of the same protein · chain B against A, TM-score 0.99

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