SMTL ID : 4kbb.1 (1 other biounit)

Structure of Botulinum neurotoxin B binding domain in complex with both synaptotagmin II and GD1a

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.30 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

BGC-GAL-NGA-GAL-SIA-SIA.1: 13 residues within 4Å: Chain A: G.272, N.273, E.358, I.408, H.409, Y.421, S.428, W.430, Y.431, N.441, K.443, L.444, G.445 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:Y.421, A:I.408, A:H.409, A:S.428, A:S.428, A:E.358, A:H.409, A:W.430

1 x CL: CHLORIDE ION(Non-functional Binders)

CL.2: 3 residues within 4Å: Chain A: E.165, F.269, K.274 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Berntsson, R.P. et al., Structure of dual receptor binding to botulinum neurotoxin B. Nat Commun (2013)

Release Date

2013-07-03

Peptides

Botulinum neurotoxin type B: A
Synaptotagmin-2: B

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
C

Botulinum neurotoxin type B

Synaptotagmin-2

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