SMTL ID : 5n0b.1

Crystal structure of the tetanus neurotoxin in complex with GD1a

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.60 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: 9 residues within 4Å: Chain A: N.1239, L.1241, D.1242, T.1290, H.1291, I.1305, S.1307, W.1309, Y.1310 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:H.1291, A:N.1239, A:H.1291, A:S.1307 Water bridges: A:S.1307, A:W.1309

1 x ZN: ZINC ION(Non-functional Binders)

ZN.2: 3 residues within 4Å: Chain A: H.253, H.257, E.291 3 PLIP interactions: 2 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:H.253, A:H.257, H2O.4

1 x PEG: DI(HYDROXYETHYL)ETHER(Non-functional Binders)

PEG.3: 6 residues within 4Å: Chain A: H.253, F.295, E.380, F.395, S.397, N.399 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:H.253, A:S.397, A:N.399

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Masuyer, G. et al., The structure of the tetanus toxin reveals pH-mediated domain dynamics. EMBO Rep. (2017)

Release Date

2017-06-21

Peptides

Tetanus toxin: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Tetanus toxin

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