SMTL ID : 2vu9.1

CRYSTAL STRUCTURE OF BOTULINUM NEUROTOXIN SEROTYPE A BINDING DOMAIN IN COMPLEX WITH GT1B

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.60 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(Non-covalent)

BGC-GAL-NGA-GAL-SIA-SIA.1: 11 residues within 4Å: Chain A: Y.264, V.349, E.350, F.399, H.400, S.411, W.413, Y.414, S.422, R.423, G.426 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:F.399, A:S.411, A:S.411, A:H.400, A:W.413 Water bridges: A:Q.401, A:R.423

1 x MG: MAGNESIUM ION

MG.2: 3 residues within 4Å: Chain A: D.236, N.240, N.374 5 PLIP interactions: 1 interactions with chain A, 4 Ligand-Water interactions Metal complexes: A:D.236, H2O.7, H2O.13, H2O.13, H2O.13

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Stenmark, P. et al., Crystal Structure of Botulinum Neurotoxin Type a in Complex with the Cell Surface Co-Receptor Gt1B- Insight Into the Toxin-Neuron Interaction. Plos Pathog. (2008)

Release Date

2008-08-26

Peptides

BOTULINUM NEUROTOXIN A HEAVY CHAIN: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

BOTULINUM NEUROTOXIN A HEAVY CHAIN

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