SMTL ID : 6tyq.1

Salmonella Typhi PltB Homopentamer with Neu-5NAc-9OAc-alpha-2-6-Gal-beta-1-4-GlcNAc Glycans

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.88 Å

Oligo State

homo-pentamer

Ligands

3 x NAG- GAL- 5N6: 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Non-functional Binders)(Non-covalent)

NAG-GAL-5N6.1: 9 residues within 4Å: Chain C: A.9, Y.10, Y.11, S.12, K.36, G.41, T.42, P.43, V.44 11 PLIP interactions: 11 interactions with chain C Hydrophobic interactions: C:A.9, C:Y.10, C:V.44 Hydrogen bonds: C:Y.10, C:Y.10, C:S.12, C:K.36, C:T.42 Water bridges: C:Y.10 Salt bridges: C:K.36, C:K.36 NAG-GAL-5N6.2: 8 residues within 4Å: Chain D: A.9, Y.10, Y.11, S.12, K.36, G.41, T.42, V.44 9 PLIP interactions: 9 interactions with chain D Hydrophobic interactions: D:A.9, D:Y.10 Hydrogen bonds: D:Y.10, D:Y.10, D:S.12, D:K.36, D:T.42 Salt bridges: D:K.36, D:K.36 NAG-GAL-5N6.3: 9 residues within 4Å: Chain E: A.9, Y.10, Y.11, S.12, K.36, G.41, T.42, V.44, K.82 13 PLIP interactions: 13 interactions with chain E Hydrophobic interactions: E:A.9, E:Y.10, E:Y.11, E:Y.11, E:V.44 Hydrogen bonds: E:Y.10, E:Y.10, E:S.12, E:K.36, E:T.42 Water bridges: E:Y.10 Salt bridges: E:K.36, E:K.36

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Nguyen, T. et al., The role of 9-O-acetylated glycan receptor moieties in the typhoid toxin binding and intoxication. Plos Pathog. (2020)

Release Date

2020-02-12

Peptides

Pertussis-like toxin subunit B: ABCDE

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

E
E

Pertussis-like toxin subunit B

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