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Crystal structure of plodia interpunctella beta-GRP/GNBP3 N-terminal domain with laminarihexaoses

Analyse Crystal structure of plodia interpunctella beta-GRP/GNBP3 N-terminal domain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3AQZ
Type
protein
Length
202 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-1,3-glucan-binding protein
UniProt
Q8MU95
Ligands
BGC
Pockets
1 · best druggability 0.48

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-1,3-glucan-binding proteinprotein1000% helix, 54% strandQ8MU95
BBeta-1,3-glucan-binding proteinprotein1020% helix, 54% strandQ8MU95

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 12 copies · chains A, 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
12360.480.7446empty

Interfaces

1 interface between chains.

  • A–B · 288 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3AQZ · Crystal structure of Plodia interpunctella beta-GRP/GNBP3 N-terminal domain with… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8MU95 · AlphaFold monomer V2.0 prediction for beta-1,3-glucan-binding protein (Q8MU95) · a predicted model of the same protein · chain A against A, TM-score 0.99

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