SMTL ID : 3obr.1

Crystal structure of Botulinum neurotoxin serotype D binding domain

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.72 Å

Oligo State

monomer

Ligands

10 x GOL: GLYCEROL(Non-functional Binders)

GOL.1: 6 residues within 4Å: Chain A: R.254, E.259, V.264, V.266, W.383, K.388 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:R.254, A:E.259, A:K.388 GOL.2: 4 residues within 4Å: Chain A: S.260, W.383, S.386, K.388 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:S.260, A:S.386, A:S.386, A:K.388, A:K.388 Water bridges: A:S.260 GOL.3: 8 residues within 4Å: Chain A: F.132, Y.143, I.164, N.165, E.167, K.169, K.358, N.359 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:Y.143, A:N.165, A:E.167, A:E.167, A:K.169, A:K.358 GOL.4: 7 residues within 4Å: Chain A: N.113, G.114, N.115, D.133, S.135, E.136, S.137 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:N.115, A:D.133, A:S.135, A:S.137 Water bridges: A:N.113, A:N.113 GOL.5: 3 residues within 4Å: Chain A: K.108, Q.121, Y.127 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:K.108, A:Q.121, A:Q.121 GOL.6: 3 residues within 4Å: Chain A: T.319, Y.321, T.323 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:T.323, A:T.323, A:N.331 Water bridges: A:T.319 GOL.7: 6 residues within 4Å: Chain A: M.6, N.10, K.13, V.220, G.223, Q.224 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:K.13, A:Q.224 Water bridges: A:N.206, A:N.206 GOL.8: 6 residues within 4Å: Chain A: Y.221, E.222, I.225, R.227, V.356, S.357 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:Y.221, A:S.357, A:S.357 Water bridges: A:R.227 GOL.9: 6 residues within 4Å: Chain A: N.331, C.332, V.333, V.396, T.397, N.398 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:C.332, A:T.397, A:N.398 GOL.10: 5 residues within 4Å: Chain A: N.43, T.44, I.45, T.47, R.293 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:N.43, A:T.47

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Strotmeier, J. et al., Botulinum neurotoxin serotype D attacks neurons via two carbohydrate-binding sites in a ganglioside-dependent manner. Biochem.J. (2010)

Release Date

2010-09-08

Peptides

Botulinum neurotoxin type D: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Botulinum neurotoxin type D

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