SMTL ID : 5tpc.1

Binding domain of BoNT/A complexed with ganglioside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

monomer

Ligands

1 x GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose(Non-functional Binders)

GAL-SIA.1: 3 residues within 4Å: Chain A: W.394, Q.398 Ligands: NGA-GAL-SIA.2 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:Q.398

1 x NGA- GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose(Non-covalent)

NGA-GAL-SIA.2: 11 residues within 4Å: Chain A: Y.245, D.246, V.330, E.331, F.380, H.381, S.392, W.394, Y.395 Ligands: GAL-SIA.1, GAL-SIA.1 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:S.392, A:S.392, A:Y.245, A:D.246, A:H.381 Water bridges: A:F.380, A:H.381, A:Q.382 Hydrophobic interactions: A:F.380

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Hamark, C. et al., Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A. J. Am. Chem. Soc. (2017)

Release Date

2017-01-18

Peptides

Botulinum neurotoxin type A: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Botulinum neurotoxin type A