SMTL ID : 1c4q.1

MUTATED SHIGA-LIKE TOXIN B SUBUNIT (F30A/W34A) COMPLEXED WITH RECEPTOR GB3 ANALOGUE

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.52 Å

Oligo State

homo-pentamer

Ligands

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

BGC-GAL-GLA.1: 12 residues within 4Å: Chain A: T.1, A.30, T.31, N.32, R.33, T.54, N.55, A.56, G.62, F.63, S.64 Chain B: D.16 10 PLIP interactions: 9 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:N.55, A:A.30, A:T.31, A:N.32, A:N.32, A:R.33, A:R.33, A:F.63, A:S.64, A:S.64, B:D.16 Water bridges: A:T.1, A:T.1, A:T.1, A:T.1, A:K.53, A:G.62 BGC-GAL-GLA.2: 11 residues within 4Å: Chain B: T.1, A.30, T.31, N.32, R.33, T.54, N.55, G.62, F.63, S.64 Chain C: D.16 10 PLIP interactions: 9 interactions with chain B, 1 interactions with chain C Hydrogen bonds: B:N.55, B:G.62, B:A.30, B:T.31, B:N.32, B:N.32, B:R.33, B:R.33, B:F.63, B:S.64, B:S.64, C:D.16 Water bridges: B:T.1, B:T.1, B:T.1, B:T.1, B:K.53 BGC-GAL-GLA.3: 12 residues within 4Å: Chain C: T.1, A.30, T.31, N.32, R.33, T.54, N.55, A.56, G.62, F.63, S.64 Chain D: D.16 9 PLIP interactions: 8 interactions with chain C, 1 interactions with chain D Water bridges: C:N.55, C:T.1, C:K.53, C:G.62, C:E.65 Hydrogen bonds: C:T.54, C:N.55, D:D.16, C:A.30, C:N.32, C:N.32, C:R.33, C:R.33, C:F.63, C:S.64, C:S.64 BGC-GAL-GLA.4: 11 residues within 4Å: Chain D: T.1, A.30, T.31, N.32, R.33, T.54, N.55, G.62, F.63, S.64 Chain E: D.16 9 PLIP interactions: 8 interactions with chain D, 1 interactions with chain E Water bridges: D:N.55, D:T.1, D:T.1, D:K.53, D:N.55, D:G.62, D:E.65 Hydrogen bonds: D:T.54, D:N.55, D:A.30, D:N.32, D:N.32, D:R.33, D:R.33, D:F.63, D:S.64, D:S.64, E:D.16 BGC-GAL-GLA.5: 11 residues within 4Å: Chain A: D.16 Chain E: T.1, T.31, N.32, R.33, T.54, N.55, A.56, G.62, F.63, S.64 10 PLIP interactions: 9 interactions with chain E, 1 interactions with chain A Water bridges: E:N.55, E:T.1, E:K.53, E:G.62 Hydrogen bonds: E:T.54, E:N.55, E:A.30, E:T.31, E:N.32, E:N.32, E:R.33, E:R.33, E:F.63, E:S.64, E:S.64, A:D.16

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Ling, H. et al., Identification of the Primary Receptor Binding Site of Shiga-Like Toxin B Subunits: Structures of Mutated Shiga-Like Toxin I B-Pentamer with and without Bound Carbohydrate. To be Published

Release Date

2000-09-20

Peptides

PROTEIN (SHIGA-LIKE TOXIN I SUBUNIT B): ABCDE

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

E
E

PROTEIN (SHIGA-LIKE TOXIN I SUBUNIT B)