SMTL ID : 3n7l.1

Crystal structure of botulinum neurotoxin serotype D/C VPI 5993 binding domain

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

monomer

Ligands

3 x SO4: SULFATE ION(Non-functional Binders)

SO4.1: 5 residues within 4Å: Chain A: D.389, Y.390, W.391, F.392, H.394 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:Y.390, A:W.391, A:F.392 Salt bridges: A:H.394 SO4.2: 4 residues within 4Å: Chain A: N.231, N.291, T.292, R.298 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:N.231, A:T.292, A:T.292 Salt bridges: A:R.298 SO4.3: 4 residues within 4Å: Chain A: N.324, G.326, T.327, D.328 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:N.324, A:G.326, A:D.328, A:L.329

6 x GOL: GLYCEROL(Non-functional Binders)

GOL.4: 3 residues within 4Å: Chain A: R.323, S.383, N.393 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:R.323, A:S.383, A:N.393, A:N.393 GOL.5: 5 residues within 4Å: Chain A: F.40, Y.229, D.240, R.296, R.298 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:D.240, A:R.298 GOL.6: 4 residues within 4Å: Chain A: K.286, N.306, Q.313 Ligands: GOL.7 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:D.244, A:K.286, A:Q.313, A:Q.313 GOL.7: 4 residues within 4Å: Chain A: K.286, Y.304, N.306 Ligands: GOL.6 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:K.286, A:Y.304, A:N.306, A:N.306 GOL.8: 5 residues within 4Å: Chain A: H.405, Y.406, A.407, S.408 Ligands: GOL.9 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:Y.406, A:A.407, A:S.408 GOL.9: 5 residues within 4Å: Chain A: E.404, H.405, Y.406, A.407 Ligands: GOL.8 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:Y.406, A:A.407 Water bridges: A:Y.406

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Karalewitz, A.P. et al., Identification of a Unique Ganglioside Binding Loop within Botulinum Neurotoxins C and D-SA . Biochemistry (2010)

Release Date

2010-09-08

Peptides

Neurotoxin: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Neurotoxin