SMTL ID : 6zvm.1

Botulinum neurotoxin B2 binding domain in complex with GD1a

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.80 Å

Oligo State

monomer

Ligands

1 x BGC- GAL- NGA- GAL- SIA- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose

BGC-GAL-NGA-GAL-SIA-SIA.1: 13 residues within 4Å: Chain A: G.251, N.252, E.336, E.337, I.387, H.388, S.407, W.409, Y.410, N.420, N.422, L.423, G.424 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:S.407, A:S.407, A:H.388 Water bridges: A:R.389, A:W.409, A:R.416, A:R.416

2 x GOL: GLYCEROL

GOL.2: 5 residues within 4Å: Chain A: D.144, R.148, T.365, Y.366, Q.428 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:D.144, A:T.365, A:T.365, A:Y.366, A:Q.428 Water bridges: A:R.148, A:N.166 GOL.3: 3 residues within 4Å: Chain A: N.285, Y.287, E.438 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:Y.287, A:E.438 Water bridges: A:E.438

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Davies, J.R. et al., Structural and Biochemical Characterization of Botulinum Neurotoxin Subtype B2 Binding to Its Receptors. Toxins (2020)

Release Date

2020-10-14

Peptides

Neurotoxin: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
AAA

Neurotoxin

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