SMTL ID : 1cqf.1

THE COMPLEX OF THE MUTATED SHIGA TOXIN B SUBUNIT AND GB3 TRISACCHARIDE

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.20 Å

Oligo State

homo-pentamer

Ligands

6 x BGC- GAL- GLA: alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose(Non-covalent)(Non-functional Binders)

BGC-GAL-GLA.1: 7 residues within 4Å: Chain A: N.32, R.33, W.34, N.35 Chain B: Y.14, D.18, W.34 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:R.33, A:W.34, A:N.35, A:N.35 BGC-GAL-GLA.2: 8 residues within 4Å: Chain B: N.32, R.33, W.34, N.35 Chain C: Y.14, D.18, W.34 Ligands: BGC-GAL-GLA.4 5 PLIP interactions: 3 interactions with chain B, 2 interactions with chain C Hydrogen bonds: B:W.34, B:N.35, B:N.35, C:Y.14, C:D.18 BGC-GAL-GLA.3: 8 residues within 4Å: Chain B: K.13, N.15, D.17, T.19, T.21, E.28, F.30, G.60 7 PLIP interactions: 6 interactions with chain B, 1 interactions with chain A Hydrogen bonds: B:D.17, B:T.19, B:N.15, B:T.21, B:E.28, B:G.60 Water bridges: B:K.13, B:E.28, A:E.65 BGC-GAL-GLA.4: 10 residues within 4Å: Chain C: N.32, R.33, W.34, N.35 Chain D: Y.14, D.18, W.34 Ligands: BGC-GAL-GLA.2, BGC-GAL-GLA.2, BGC-GAL-GLA.5 6 PLIP interactions: 5 interactions with chain C, 1 interactions with chain D Hydrogen bonds: C:R.33, C:W.34, C:N.35, D:Y.14 Water bridges: C:N.32, C:N.32 BGC-GAL-GLA.5: 8 residues within 4Å: Chain D: N.32, R.33, W.34, N.35 Chain E: Y.14, D.18, W.34 Ligands: BGC-GAL-GLA.4 5 PLIP interactions: 1 interactions with chain E, 4 interactions with chain D Hydrogen bonds: E:D.18, D:R.33, D:W.34, D:N.35, D:N.35 BGC-GAL-GLA.6: 7 residues within 4Å: Chain A: Y.14, D.18, W.34 Chain E: N.32, R.33, W.34, N.35 4 PLIP interactions: 3 interactions with chain E, 1 interactions with chain A Hydrogen bonds: E:W.34, E:N.35, E:N.35, A:D.18

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Ling, H. et al., The Complex of the Mutated Shiga Toxin B Subunit and Gb3 Trisaccharide. To be Published

Release Date

2000-08-07

Peptides

SHIGA TOXIN B-CHAIN: ABCDE

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

E
E

SHIGA TOXIN B-CHAIN

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