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Crystal structure of human IZUMO1-juno complex (crystal form 3)

Analyse Crystal structure of human IZUMO1-juno complex (crystal form 3) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5JKE
Type
protein
Length
870 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Izumo sperm-egg fusion protein 1; Sperm-egg fusion protein juno
UniProt
Q8IYV9, A6ND01
Ligands
NAG, SO4, CL
Pockets
13 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CIzumo sperm-egg fusion protein 1protein23240% helix, 31% strandQ8IYV9
B, DSperm-egg fusion protein junoprotein20335% helix, 10% strandA6ND01

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
  • SO4 · Sulfate ion · ion · 2 copies · chains A, D
  • CL · Chloride ion · ion · 2 copies · chains B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12910.650.8136empty
22970.650.8139empty
31650.520.7934empty
41270.480.7925empty
51030.450.7915empty

Interfaces

3 interfaces between chains.

  • A–B · 1027 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 992 Ų buried · 7 hydrogen bonds · protein-protein
  • C–D · 991 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 26 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

  • 5JKE · Crystal structure of human IZUMO1-JUNO complex (crystal form 3) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8IYV9 · AlphaFold monomer V2.0 prediction for izumo sperm-egg fusion protein 1 (Q8IYV9) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • A6ND01 · AlphaFold monomer V2.0 prediction for sperm-egg fusion protein juno (A6ND01) · a predicted model of the same protein · chain B against A, TM-score 0.95

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