SMTL ID : 2bos.1

A MUTANT SHIGA-LIKE TOXIN IIE BOUND TO ITS RECEPTOR

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

homo-pentamer

Ligands

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

GLC-GAL-GLA.1: 12 residues within 4Å: Chain A: W.29, T.30, N.31, R.32, S.53, N.54, T.55, G.61, F.62, A.63 Chain B: E.15 Ligands: NBU.8 2 PLIP interactions: 1 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:N.54, A:G.61, B:E.15, A:W.29, A:T.30, A:N.31, A:N.31, A:R.32, A:R.32, A:F.62, B:E.15, A:N.54 GLC-GAL-GLA.2: 8 residues within 4Å: Chain A: K.12, N.14, D.16, T.18, T.20, E.27, W.29, G.59 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:D.16, A:K.12, A:K.12, A:N.14, A:T.20, A:E.27 GLC-GAL-GLA.3: 11 residues within 4Å: Chain B: W.29, T.30, N.31, R.32, S.53, N.54, T.55, G.61, F.62, A.63 Chain C: E.15 2 PLIP interactions: 1 interactions with chain B, 1 interactions with chain C Hydrogen bonds: B:N.54, B:G.61, C:E.15, B:W.29, B:N.31, B:N.31, B:R.32, B:R.32, B:F.62, C:E.15, B:N.54 GLC-GAL-GLA.5: 12 residues within 4Å: Chain C: W.29, T.30, N.31, R.32, S.53, N.54, T.55, G.61, F.62, A.63 Chain D: E.15 Ligands: NBU.9 2 PLIP interactions: 1 interactions with chain D, 1 interactions with chain C Hydrogen bonds: D:E.15, C:N.54, C:G.61, D:E.15, C:W.29, C:N.31, C:N.31, C:R.32, C:R.32, C:F.62, C:N.54 Water bridges: C:N.54 GLC-GAL-GLA.6: 12 residues within 4Å: Chain A: E.15 Chain E: W.29, T.30, N.31, R.32, S.53, N.54, T.55, G.61, F.62, A.63 Ligands: NBU.10 2 PLIP interactions: 1 interactions with chain A, 1 interactions with chain E Hydrogen bonds: A:E.15, E:N.54, E:G.61, A:E.15, E:W.29, E:N.31, E:N.31, E:R.32, E:R.32, E:F.62, E:N.54 Water bridges: E:T.55

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

GAL-GLA.4: 8 residues within 4Å: Chain B: K.12, N.14, D.16, T.18, T.20, E.27, W.29, G.59 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:T.18, B:K.12, B:K.12, B:N.14, B:T.20, B:E.27 GAL-GLA.7: 8 residues within 4Å: Chain E: K.12, N.14, D.16, T.18, T.20, E.27, W.29, G.59 3 PLIP interactions: 3 interactions with chain E Hydrogen bonds: E:T.18, E:K.12, E:T.20, E:E.27

3 x NBU: N-BUTANE(Non-covalent)

NBU.8: 1 residues within 4Å: Ligands: GLC-GAL-GLA.1 No protein-ligand interaction detected (PLIP) NBU.9: 1 residues within 4Å: Ligands: GLC-GAL-GLA.5 No protein-ligand interaction detected (PLIP) NBU.10: 1 residues within 4Å: Ligands: GLC-GAL-GLA.6 No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Ling, H. et al., A mutant Shiga-like toxin IIe bound to its receptor Gb(3): structure of a group II Shiga-like toxin with altered binding specificity. Structure Fold.Des. (2000)

Release Date

1999-10-20

Peptides

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

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

E
E

PROTEIN (SHIGA-LIKE TOXIN IIE B SUBUNIT)

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