SMTL ID : 6f0o.1

Botulinum neurotoxin A3 Hc domain

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.60 Å

Oligo State

monomer

Ligands

1 x PPI: PROPANOIC ACID(Non-covalent)

PPI.1: 1 residues within 4Å: Chain A: E.307 1 PLIP interactions: 1 interactions with chain A Hydrophobic interactions: A:E.307

1 x 1PE: PENTAETHYLENE GLYCOL(Non-functional Binders)

1PE.2: 7 residues within 4Å: Chain A: Y.42, Y.43, D.44, K.52, I.54, Y.203, D.426 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:K.52, A:D.426

1 x EDO: 1,2-ETHANEDIOL(Non-functional Binders)

EDO.3: 5 residues within 4Å: Chain A: Q.50, W.83, W.151, K.207, G.239 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:Q.50, A:K.207, A:K.207 Water bridges: A:N.230

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Davies, J.R. et al., High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains. J. Struct. Biol. (2018)

Release Date

2018-01-10

Peptides

Bontoxilysin A: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Bontoxilysin A

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