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Crystal structure analysis of polyporus squamosus lectin bound to human-type influenza-binding epitope NEU5ACA2-6GALB1-4GLCNAC

Analyse Crystal structure analysis of polyporus squamosus lectin bound to human-type… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3PHZ
Type
protein
Length
556 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ricin B-related lectin
UniProt
Q75WT9
Ligands
NAG, GAL, SIA
Pockets
1 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRicin B-related lectinprotein27820% helix, 40% strandQ75WT9

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
  • GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
  • SIA · N-acetyl-alpha-neuraminic acid · sugar · 2 copies · chains B, A

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
1750.370.7822empty

Interfaces

1 interface between chains.

  • A–B · 1751 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 3PHZ · Crystal Structure Analysis of Polyporus squamosus lectin bound to human-type… · the same entry in another collection · chain A against A, TM-score 1.00

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