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MolNFT v1 · #55323 · protein

Wif domain-epidermal growth factor (EGF)-like domains 1-3 of human wnt inhibitory factor 1 in complex with 1,2- dipalmitoylphosphatidylcholine

2YGQ: “Wif domain-epidermal growth factor (EGF)-like domains 1-3 of human wnt inhibitory factor 1 in complex with…”. X-ray diffraction, 5 ligands (GU4, YYJ, PCF), 3 pockets (best druggability 0.82). MolNFT v1 #55323 on GenesisL1: 3D…

PDB
2YGQ
Type
protein
Length
241 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Wnt inhibitory factor 1
UniProt
Q9Y5W5
Ligands
GU4, YYJ, PCF, NAG, FUC
Pockets
3 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AWnt inhibitory factor 1protein2417% helix, 32% strandQ9Y5W5

Ligands and binding sites

  • GU4 · 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose · ligand · chains A
  • YYJ · 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose · ligand
  • PCF · 1,2-diacyl-sn-glycero-3-phoshocholine · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
  • FUC · alpha-L-fucopyranose · sugar · 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15510.820.8746PCF
24620.600.7552empty
31720.500.7721empty

Modifications

Observed in the structure: 10 disulfide, 3 glycan (disulfide, N-glycosylation, O-glycosylation).

Compared structures

  • 2YGQ · WIF domain-epidermal growth factor (EGF)-like domains 1-3 of human Wnt inhibitory factor… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y5W5 · AlphaFold monomer V2.0 prediction for wnt inhibitory factor 1 (Q9Y5W5) · a predicted model of the same protein · chain A against A, TM-score 0.65

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