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X-ray crystal structure of erythrina crista-galli lectin in complex with epilactose

Analyse X-ray crystal structure of erythrina crista-galli lectin in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6AQ5
Type
protein
Length
478 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lectin
UniProt
Q6YD91
Ligands
BMA, NAG, GAL, XYP, MAN, FUC, MN, CA, NA

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BLectinprotein2394% helix, 45% strandQ6YD91

Ligands and binding sites

  • BMA · beta-D-mannopyranose · sugar · 3 copies · chains A, B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B
  • GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
  • XYP · beta-D-xylopyranose · sugar
  • MAN · alpha-D-mannopyranose · sugar
  • FUC · alpha-L-fucopyranose · sugar · chains A
  • MN · Manganese (II) ion · metal · 2 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains A, B
  • NA · Sodium ion · metal · chains A

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

Interfaces

1 interface between chains.

  • A–B · 841 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 6AQ5 · X-ray crystal structure of Erythrina crista-galli lectin in complex with epilactose · the same entry in another collection · chain A against A, TM-score 1.00

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