SMTL ID : 4k6l.1

Structure of Typhoid Toxin

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.39 Å

Oligo State

hetero-oligomer

Ligands

8 x GOL: GLYCEROL(Non-functional Binders)

GOL.1: 5 residues within 4Å: Chain A: E.1, W.2, D.5 Chain B: D.25, Y.87 4 PLIP interactions: 3 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:E.1, A:D.5, B:Y.87 Water bridges: A:D.5 GOL.2: 5 residues within 4Å: Chain B: E.1, W.2, D.5 Chain D: D.25, Y.87 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:E.1, B:E.1, B:D.5 Water bridges: B:D.5 GOL.3: 6 residues within 4Å: Chain A: R.67 Chain C: D.64, R.67, Y.68 Chain G: E.219, L.220 2 PLIP interactions: 1 interactions with chain C, 1 interactions with chain A Hydrogen bonds: C:D.64, A:R.67 GOL.4: 6 residues within 4Å: Chain D: E.1, W.2, D.5 Chain E: I.24, D.25, Y.87 4 PLIP interactions: 3 interactions with chain D, 1 interactions with chain E Hydrogen bonds: D:E.1, D:E.1, D:D.5 Water bridges: E:Y.87 GOL.5: 7 residues within 4Å: Chain E: I.24, D.25, Q.52, W.85, T.86, Y.87, F.90 4 PLIP interactions: 4 interactions with chain E Hydrogen bonds: E:D.25, E:Q.52, E:Q.52, E:T.86 GOL.6: 5 residues within 4Å: Chain C: D.25, Y.87 Chain E: E.1, W.2, D.5 4 PLIP interactions: 2 interactions with chain E, 2 interactions with chain C Hydrogen bonds: E:E.1, E:D.5, C:D.25, C:D.25 GOL.7: 1 residues within 4Å: Chain F: C.247 No protein-ligand interaction detected (PLIP) GOL.8: 8 residues within 4Å: Chain F: Y.5, D.38, Q.106 Chain G: R.27, R.46, T.119, L.120, F.167 8 PLIP interactions: 2 interactions with chain F, 6 interactions with chain G Hydrogen bonds: F:D.38, F:Q.106, G:R.27, G:R.27, G:R.46, G:T.119 Water bridges: G:N.84, G:T.119

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Song, J. et al., Structure and function of the Salmonella Typhi chimaeric A(2)B(5) typhoid toxin. Nature (2013)

Release Date

2013-07-17

Peptides

Putative pertussis-like toxin subunit: ABCDE
Cytolethal distending toxin subunit B homolog: F
Putative pertussis-like toxin subunit: G

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

E
E

F
F

G
G

Putative pertussis-like toxin subunit

Cytolethal distending toxin subunit B homolog

Putative pertussis-like toxin subunit

Related Entries With Identical Sequence