SMTL ID : 4rhs.1

Crystal structure of GD2 bound PltB

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.92 Å

Oligo State

homo-pentamer

Ligands

2 x GAL- SIA- SIA: N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose(Non-functional Binders)

GAL-SIA-SIA.1: 8 residues within 4Å: Chain C: A.9, Y.10, Y.11, S.12, D.13, K.36, R.77, C.110 8 PLIP interactions: 8 interactions with chain C Hydrophobic interactions: C:A.9, C:Y.11 Hydrogen bonds: C:Y.10, C:S.12, C:K.36 Water bridges: C:Y.10 Salt bridges: C:K.36, C:R.77 GAL-SIA-SIA.2: 9 residues within 4Å: Chain E: A.9, Y.10, Y.11, S.12, D.13, K.36, R.77, T.108, C.110 10 PLIP interactions: 10 interactions with chain E Hydrophobic interactions: E:A.9, E:Y.10, E:Y.11 Hydrogen bonds: E:Y.10, E:Y.10, E:S.12, E:K.36 Water bridges: E:Y.10 Salt bridges: E:K.36, E:R.77

2 x ACT: ACETATE ION

ACT.3: 6 residues within 4Å: Chain B: I.24, Y.87, P.88, L.89, F.90 Chain E: W.2 5 PLIP interactions: 4 interactions with chain B, 1 interactions with chain E Hydrophobic interactions: B:I.24, B:Y.87, E:W.2 Hydrogen bonds: B:L.89, B:F.90 ACT.4: 2 residues within 4Å: Chain B: D.25, T.26 No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Deng, L. et al., Host adaptation of a bacterial toxin from the human pathogen salmonella typhi. Cell(Cambridge,Mass.) (2014)

Release Date

2014-10-29

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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