SMTL ID : 6p4q.1

Salmonella typhi PltB Homopentamer N29K Mutant with Neu5Ac-alpha-2-3-Gal-beta-1-4-GlcNAc Glycans

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.77 Å

Oligo State

homo-pentamer

Ligands

6 x NAG- GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose

NAG-GAL-SIA.1: 8 residues within 4Å: Chain A: A.32, Y.33, Y.34, S.35, D.36, K.59, Q.132, K.137 10 PLIP interactions: 10 interactions with chain A Hydrogen bonds: A:Q.132, A:K.137, A:Y.33, A:Y.33, A:S.35, A:K.59 Water bridges: A:D.36, A:R.100, A:Y.33, A:Y.33 Hydrophobic interactions: A:A.32, A:Y.33, A:Y.34 Salt bridges: A:K.59 NAG-GAL-SIA.2: 5 residues within 4Å: Chain B: A.32, Y.33, Y.34, S.35, K.59 9 PLIP interactions: 9 interactions with chain B Hydrogen bonds: B:S.35, B:S.35, B:Y.33, B:Y.33, B:S.35, B:K.59 Hydrophobic interactions: B:A.32, B:Y.33, B:Y.34 Water bridges: B:Y.33 Salt bridges: B:K.59 NAG-GAL-SIA.3: 7 residues within 4Å: Chain C: A.32, Y.33, Y.34, S.35, D.36, K.59, S.63 10 PLIP interactions: 10 interactions with chain C Hydrogen bonds: C:D.36, C:S.63, C:Y.33, C:Y.33, C:S.35, C:K.59 Water bridges: C:S.35, C:Y.33, C:R.100 Hydrophobic interactions: C:A.32, C:Y.33, C:Y.34 Salt bridges: C:K.59 NAG-GAL-SIA.4: 6 residues within 4Å: Chain D: A.32, Y.33, Y.34, S.35, D.36, K.59 9 PLIP interactions: 9 interactions with chain D Hydrogen bonds: D:K.59, D:Y.33, D:Y.33, D:S.35, D:K.59 Hydrophobic interactions: D:A.32, D:Y.33, D:Y.34 Water bridges: D:Y.33 Salt bridges: D:K.59 NAG-GAL-SIA.5: 7 residues within 4Å: Chain E: D.48, Q.75, S.76, I.107, W.108, T.109, Y.110 10 PLIP interactions: 10 interactions with chain E Hydrogen bonds: E:T.109, E:D.48, E:Q.75, E:Q.75, E:S.76, E:T.109, E:T.109, E:Y.110 Hydrophobic interactions: E:W.108, E:Y.110 Water bridges: E:I.77 NAG-GAL-SIA.6: 5 residues within 4Å: Chain E: A.32, Y.33, Y.34, S.35, K.59 9 PLIP interactions: 9 interactions with chain E Hydrophobic interactions: E:A.32, E:Y.33, E:Y.34 Hydrogen bonds: E:Y.33, E:Y.33, E:S.35, E:K.59 Water bridges: E:Y.33 Salt bridges: E:K.59

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Lee, S. et al., Salmonella Typhoid Toxin PltB Subunit and Its Non-typhoidal Salmonella Ortholog Confer Differential Host Adaptation and Virulence. Cell Host Microbe (2020)

Release Date

2020-03-25

Peptides

Putative pertussis-like toxin subunit: ABCDE

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

E
E

Putative pertussis-like toxin subunit

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