SMTL ID : 2o2l.1 (1 other biounit)

Crystal structure of human heat-labile enterotoxin in complex with a blood group A antigen analog

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.53 Å

Oligo State

homo-pentamer

Ligands

5 x BGC- GAL- FUC- A2G- FUC: alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]beta-D-glucopyranose(Non-covalent)

BGC-GAL-FUC-A2G-FUC.1: 11 residues within 4Å: Chain A: Y.18, T.41, S.44, G.45, A.46, T.47, F.48, T.92, P.93, N.94 Chain E: Q.3 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:G.45, A:T.47, A:T.47, A:Y.18, A:G.45 Water bridges: A:Q.16, A:Q.16, A:S.44 Hydrophobic interactions: A:A.46 BGC-GAL-FUC-A2G-FUC.2: 11 residues within 4Å: Chain A: Q.3 Chain B: Y.18, T.41, S.44, G.45, A.46, T.47, F.48, T.92, P.93, N.94 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:G.45, B:T.47, B:T.47, B:Y.18, B:G.45 Hydrophobic interactions: B:A.46 BGC-GAL-FUC-A2G-FUC.3: 10 residues within 4Å: Chain B: Q.3 Chain C: Y.18, S.44, G.45, A.46, T.47, F.48, T.92, P.93, N.94 2 PLIP interactions: 1 interactions with chain C, 1 interactions with chain B Hydrogen bonds: C:G.45, C:T.47, C:T.47, B:Q.3, C:Y.18, C:G.45 Water bridges: C:N.94 Hydrophobic interactions: C:A.46 BGC-GAL-FUC-A2G-FUC.4: 11 residues within 4Å: Chain C: Q.3 Chain D: Y.18, S.44, G.45, A.46, T.47, F.48, K.91, T.92, P.93, N.94 1 PLIP interactions: 1 interactions with chain D Hydrogen bonds: D:T.47, D:T.47, D:T.47, D:Y.18, D:G.45 Hydrophobic interactions: D:A.46 BGC-GAL-FUC-A2G-FUC.5: 10 residues within 4Å: Chain D: Q.3 Chain E: Y.18, S.44, G.45, A.46, T.47, F.48, T.92, P.93, N.94 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:T.47, E:T.47, E:Y.18, E:G.45 Water bridges: E:T.41, E:T.41, E:Q.16, E:S.44, E:S.44 Hydrophobic interactions: E:A.46

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Holmner, A. et al., Blood Group Antigen Recognition by Escherichia coli Heat-labile Enterotoxin. J.Mol.Biol. (2007)

Release Date

2007-08-14

Peptides

Heat-labile enterotoxin B chain: ABCDE

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
D

B
E

C
F

D
G

E
H

Heat-labile enterotoxin B chain

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