SMTL ID : 1d1i.1

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

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.70 Å

Oligo State

homo-pentamer

Ligands

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

GAL-GLA.1: 8 residues within 4Å: Chain A: K.13, N.15, D.17, T.19, T.21, E.28, F.30, G.60 5 PLIP interactions: 4 interactions with chain A, 1 interactions with chain E Hydrogen bonds: A:D.17, A:T.19, A:N.15, A:T.21, A:E.28 Water bridges: A:K.13, E:E.65

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

BGC-GAL-GLA.2: 12 residues within 4Å: Chain A: T.1, F.30, T.31, N.32, R.33, T.54, N.55, A.56, G.62, F.63, S.64 Chain B: D.16 2 PLIP interactions: 1 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:N.55, A:F.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 Water bridges: A:T.1, A:K.53, A:G.62, A:E.65, B:D.16, A:N.55 BGC-GAL-GLA.3: 11 residues within 4Å: Chain B: T.1, F.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:F.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:K.53, B:N.55, B:G.62 BGC-GAL-GLA.4: 12 residues within 4Å: Chain C: T.1, F.30, T.31, N.32, R.33, T.54, N.55, A.56, G.62, F.63, S.64 Chain D: D.16 4 PLIP interactions: 2 interactions with chain C, 2 interactions with chain D Hydrogen bonds: C:T.54, C:N.55, C:F.30, C:N.32, C:N.32, C:R.33, C:R.33, C:F.63, C:S.64, C:S.64, D:D.16 Water bridges: C:T.1, C:T.1, C:K.53, C:G.62, D:D.16, C:N.55, C:N.55 BGC-GAL-GLA.5: 11 residues within 4Å: Chain D: T.1, F.30, T.31, N.32, R.33, T.54, N.55, G.62, F.63, S.64 Chain E: D.16 10 PLIP interactions: 8 interactions with chain D, 2 interactions with chain E Hydrogen bonds: D:T.54, D:N.55, D:F.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 Water bridges: D:T.1, D:T.1, D:K.53, D:T.54, D:N.55, D:G.62, E:D.16 BGC-GAL-GLA.6: 12 residues within 4Å: Chain A: D.16 Chain E: T.1, F.30, T.31, N.32, R.33, T.54, N.55, A.56, G.62, F.63, S.64 3 PLIP interactions: 1 interactions with chain E, 2 interactions with chain A Hydrogen bonds: E:T.54, E:N.55, E:F.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 Water bridges: E:T.1, E:K.53, E:G.62, A:D.16, E:N.55

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Ling, H. et al., Mutated Shiga-like Toxin B Subunit (W34A) Complexed with Receptor Gb3 Analogue. To be Published

Release Date

2000-09-20

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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