SMTL ID : 1f31.1

CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH A TRISACCHARIDE

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.60 Å

Oligo State

monomer

Ligands

1 x GLC- GLA- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-alpha-D-galactopyranose-(1-4)-alpha-D-glucopyranose

GLC-GLA-SIA.1: 9 residues within 4Å: Chain A: E.1188, E.1189, I.1239, H.1240, R.1241, C.1257, S.1259, W.1261, Y.1262 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:E.1188, A:S.1259, A:S.1259, A:H.1240, A:R.1241, A:Y.1262 Hydrophobic interactions: A:W.1261 Salt bridges: A:H.1240

1 x ZN: ZINC ION(Non-covalent)

ZN.2: 4 residues within 4Å: Chain A: H.229, H.233, E.267 Ligands: SO4.3 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:H.229, A:H.233, A:E.267, A:E.267

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

SO4.3: 6 residues within 4Å: Chain A: N.169, H.229, E.230, H.233, E.267 Ligands: ZN.2 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.169 Salt bridges: A:H.229, A:H.233

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Swaminathan, S. et al., Structural analysis of the catalytic and binding sites of Clostridium botulinum neurotoxin B. Nat.Struct.Biol. (2000)

Release Date

2000-11-01

Peptides

BOTULINUM NEUROTOXIN TYPE B: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

BOTULINUM NEUROTOXIN TYPE B

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