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MolNFT v1 · #122206 · protein

Crystal structure of red abalone egg verl repeat 3 in complex with sperm lysin at 1.64 a resolution (crystal form II)

5IIB · Egg-lysin: “Crystal structure of red abalone egg verl repeat 3 in complex with sperm lysin at 1.64 a resolution (crystal…”. X-ray diffraction, 3 ligands (NAG, GLC, FRU), 2 pockets (best druggability 0.60). MolNFT v1 #122206 on…

PDB
5IIB
Type
protein
Length
232 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Egg-lysin; Vitelline envelope sperm lysin receptor
UniProt
P04552, Q8WR62
Ligands
NAG, GLC, FRU
Pockets
2 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEgg-lysinprotein12472% helix, 0% strandP04552
BVitelline envelope sperm lysin receptorprotein1083% helix, 58% strandQ8WR62

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains B
  • GLC · alpha-D-glucopyranose · sugar · chains A, B
  • FRU · beta-D-fructofuranose · sugar · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1830.600.8821empty
2610.280.7315GLC, FRU

Interfaces

1 interface between chains.

  • A–B · 1172 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 5IIB · Crystal structure of red abalone egg VERL repeat 3 in complex with sperm lysin at 1.64 A… · the same entry in another collection · chain A against A, TM-score 1.00
  • P04552 · AlphaFold monomer V2.0 prediction for egg-lysin (P04552) · a predicted model of the same protein · chain A against A, TM-score 0.97

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