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

Crystal structures exploring the origins of the broader specificity of escherichia coli heat-labile enterotoxin compared to cholera toxin

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.81 Å

Oligo State

homo-pentamer

Ligands

3 x NAG- GAL: beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Non-covalent)(Non-functional Binders)

NAG-GAL.1: 8 residues within 4Å: Chain A: E.51, Q.56, H.57, I.58, Q.61, W.88, N.90, K.91 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:Q.61, A:Q.61, A:N.90, A:N.90, A:K.91, A:Q.56 Water bridges: A:I.58, A:Q.61, A:N.90 Hydrophobic interactions: A:I.58 NAG-GAL.3: 10 residues within 4Å: Chain D: R.13, E.51, S.55, Q.56, H.57, I.58, Q.61, W.88, N.90, K.91 5 PLIP interactions: 5 interactions with chain D Hydrogen bonds: D:Q.61, D:Q.61, D:N.90, D:N.90, D:K.91, D:R.13, D:Q.56 Water bridges: D:E.51, D:I.58, D:I.58, D:Q.61, D:Q.61 NAG-GAL.4: 8 residues within 4Å: Chain E: E.51, Q.56, H.57, I.58, Q.61, W.88, N.90, K.91 4 PLIP interactions: 4 interactions with chain E Hydrogen bonds: E:Q.61, E:Q.61, E:N.90, E:N.90, E:K.91, E:N.14, E:Q.56 Water bridges: E:I.58, E:S.95, E:Q.61 Hydrophobic interactions: E:I.58

1 x GAL- NAG- GAL: beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose(Non-covalent)

GAL-NAG-GAL.2: 8 residues within 4Å: Chain B: E.51, Q.56, H.57, I.58, Q.61, W.88, N.90, K.91 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:Q.61, B:Q.61, B:N.90, B:N.90, B:K.91, B:Q.56 Water bridges: B:E.51, B:I.58, B:Q.61 Hydrophobic interactions: B:I.58

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

GAL.5: 7 residues within 4Å: Chain C: E.51, Q.56, H.57, Q.61, W.88, N.90, K.91 7 PLIP interactions: 7 interactions with chain C Hydrogen bonds: C:Q.61, C:Q.61, C:N.90, C:N.90, C:K.91 Water bridges: C:E.51, C:I.58

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Holmner, A. et al., Crystal Structures Exploring the Origins of the Broader Specificity of Escherichia Coli Heat-Labile Enterotoxin Compared to Cholera Toxin. J.Mol.Biol. (2011)

Release Date

2010-12-08

Peptides

HEAT-LABILE ENTEROTOXIN B CHAIN: ABCDE

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
L

B
M

C
N

D
O

E
P

HEAT-LABILE ENTEROTOXIN B CHAIN

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