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MolNFT v1 · #58031 · protein

Crystal structure of bombyx mori beta-GRP/GNBP3 N-terminal domain with laminarihexaoses

3AQX · Beta-1,3-glucan-binding protein: “Crystal structure of bombyx mori beta-GRP/GNBP3 N-terminal domain with laminarihexaoses”. X-ray diffraction, 1 ligand (BGC), 1 pocket (best druggability 0.28). MolNFT v1 #58031 on GenesisL1: 3D…

PDB
3AQX
Type
protein
Length
201 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-1,3-glucan-binding protein
UniProt
Q9NL89
Ligands
BGC
Pockets
1 · best druggability 0.28

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-1,3-glucan-binding proteinprotein1010% helix, 53% strandQ9NL89
BBeta-1,3-glucan-binding proteinprotein1000% helix, 54% strandQ9NL89

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 12 copies · chains A, B
  • GOL · Glycerol · additive · chains B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1580.280.7416empty

Interfaces

1 interface between chains.

  • A–B · 300 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 3AQX · Crystal structure of Bombyx mori beta-GRP/GNBP3 N-terminal domain with laminarihexaoses · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NL89 · AlphaFold monomer V2.0 prediction for beta-1,3-glucan-binding protein (Q9NL89) · a predicted model of the same protein · chain A against A, TM-score 0.99

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