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Mouse POFUT1 in complex with mouse factor VII EGF1 mutant (T101A) and GDP-fucose

Analyse Mouse POFUT1 in complex with mouse factor VII EGF1 mutant (T101A) and GDP-fucose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5KY3
Type
protein
Length
390 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GDP-fucose protein O-fucosyltransferase 1; Coagulation factor VII
EC
2.4.1.221, 3.4.21.21
UniProt
Q91ZW2, P70375
Ligands
GFB, NAG
Pockets
3 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGDP-fucose protein O-fucosyltransferase 1 (EC 2.4.1.221)protein35341% helix, 16% strandQ91ZW2
BCoagulation factor VII (EC 3.4.21.21)protein378% helix, 27% strandP70375

Ligands and binding sites

  • GFB · Guanosine-5'-diphosphate-beta-L-fucopyranose · ligand · chains A, B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15390.750.8352GFB
21680.480.7733empty
3590.360.7915empty

Interfaces

1 interface between chains.

  • A–B · 884 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 5KY3 · mouse POFUT1 in complex with mouse Factor VII EGF1 mutant (T101A) and GDP-fucose · the same entry in another collection · chain A against A, TM-score 1.00
  • Q91ZW2 · AlphaFold monomer V2.0 prediction for GDP-fucose protein O-fucosyltransferase 1 (Q91ZW2) · a predicted model of the same protein · chain A against A, TM-score 1.00
  • P70375 · AlphaFold monomer V2.0 prediction for coagulation factor VII (P70375) · a predicted model of the same protein · chain B against A, TM-score 0.91

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