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MolNFT v1 · #149321 · protein

Crystal structure of pholiota squarrosa lectin in complex with a dodecasaccharide

6FX3: “Crystal structure of pholiota squarrosa lectin in complex with a dodecasaccharide”. X-ray diffraction, 7 ligands (C4W, NAG, MAN). MolNFT v1 #149321 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6FX3
Type
protein
Length
83 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lectin
Ligands
C4W, NAG, MAN, BMA, GAL, SIA, FUC

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALectinprotein400% helix, 45% strand—
BLectinprotein430% helix, 42% strand—

Ligands and binding sites

  • C4W · 1-azido-beta-N-acetyl-D-glucosamine · ligand · 2 copies · chains B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A, B
  • MAN · alpha-D-mannopyranose · sugar · 3 copies · chains A, B
  • BMA · beta-D-mannopyranose · 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 A, B
  • FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 100 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6FX3 · crystal structure of Pholiota squarrosa lectin in complex with a dodecasaccharide · the same entry in another collection · chain A against A, TM-score 1.00

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