SMTL ID : 6qns.1

Crystal structure of the binding domain of Botulinum Neurotoxin type B mutant I1248W/V1249W in complex with human synaptotagmin 1 and GD1a receptors

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.40 Å

Oligo State

hetero-1-1-mer

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(Non-functional Binders)

BGC-GAL-NGA-GAL-SIA-SIA.1: 13 residues within 4Å: Chain A: G.255, N.256, E.340, E.341, I.391, H.392, S.411, W.413, Y.414, N.424, K.426, L.427, G.428 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:E.341, A:I.391, A:H.392, A:S.411, A:S.411 Water bridges: A:R.393

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Yin, L. et al., Characterization of a membrane binding loop leads to engineering botulinum neurotoxin B with improved therapeutic efficacy. Plos Biol. (2020)

Release Date

2020-02-26

Peptides

Botulinum neurotoxin type B: A
Synaptotagmin-1: B

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
S

Botulinum neurotoxin type B

Synaptotagmin-1

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