2XRS: Heat-labile enterotoxin B chain

Name: PDB 2XRS: Crystal structures exploring the origins of the broader specificity of escherichia coli heat-labile enterotoxin compared to cholera toxin
Published: 2010-12-08
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: toxin

Crystal structures exploring the origins of the broader specificity of escherichia coli heat-labile enterotoxin compared to cholera toxin. Determined by X-ray diffraction at 1.81 Å resolution. Released 8 Dec 2010.

Method: X-ray diffraction
Resolution: 1.81 Å
Organism: ESCHERICHIA COLI
Chains: 10
Atoms: 9,352
Mol. weight: 122.03 kDa
Ligands: GAL
Released: 8 Dec 2010

Explore 2XRS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2XRS contains 40 α-helices and 60 β-strands across 10 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chains D, G and O: 4 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	5-9	5
β-strand	15-22	8	1
β-strand	26-30	5	1
β-strand	37-41	5	1
β-strand	47-50	4	1
α-helix	51-53	3
α-helix	61-77	17
α-helix	80-81	2
β-strand	82-88	7	1
β-strand	94-102	9	1

Chains E, F, H, N and P: 4 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	5-9	5
β-strand	15-22	8	1
β-strand	26-30	5	1
β-strand	37-41	5	1
β-strand	47-50	4	1
α-helix	51-53	3
α-helix	61-78	18
α-helix	80-81	2
β-strand	82-88	7	1
β-strand	94-102	9	1

Chain L: 4 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	5-9	5
β-strand	15-22	8	2
β-strand	26-30	5	2
β-strand	37-41	5	2
β-strand	47-50	4	2
α-helix	51-53	3
α-helix	59-78	20
α-helix	80-81	2
β-strand	82-88	7	2
β-strand	94-102	9	2

Chain M: 4 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	5-9	5
β-strand	15-22	8	2
β-strand	26-32	7	2
β-strand	35-41	7	2
β-strand	47-50	4	2
α-helix	51-53	3
α-helix	61-77	17
α-helix	80-81	2
β-strand	82-88	7	2
β-strand	94-102	9	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Heat-labile enterotoxin B chain	D, E, F, G, H, L, M, N, O, P	protein	103	ESCHERICHIA COLI	P32890 (AlphaFold model)

Sequence of entity 1 (D, E, F, G, H, L, M, N, O, P), FASTA

>2XRS_1 HEAT-LABILE ENTEROTOXIN B CHAIN (chains D, E, F, G, H, L, M, N, O, P)
APQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDS
QKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN

Ligands and cofactors

ID	Name	Formula	Copies
GAL	beta-D-galactopyranose	C6 H12 O6	1

Primary citation

Crystal Structures Exploring the Origins of the Broader Specificity of Escherichia Coli Heat-Labile Enterotoxin Compared to Cholera Toxin. Holmner, A., Mackenzie, A., Okvist, M. et al. J Mol Biol (2011) 406:387. DOI 10.1016/J.JMB.2010.11.060 · PubMed

Other PDB entries of the same protein (UniProt P32890 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1DJR 1.3 Å, Heat-labile enterotoxin B-pentamer complexed with M-carboxyphenyl-alpha-D-galactose
6IAL 1.45 Å, Porcine E.coli heat-labile enterotoxin B-pentamer in complex with Lacto-N-neohexaose
1EFI 1.6 Å, Heat-labile enterotoxin B-pentamer complexed with para-aminophenyl-alpha-D-galactopyranos…
5LZI 1.6 Å, Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146
1LT5 1.7 Å, Heat-labile enterotoxin B-pentamer complexed with thiodigalactoside
1EEF 1.8 Å, Heat-labile enterotoxin B-pentamer complexed with bound ligand pepg
1FD7 1.8 Å, Heat-labile enterotoxin B-pentamer with bound ligand BMSC001
1LTS 1.95 Å, Refined structure of E. Coli heat labile enterotoxin, a close relative of cholera toxin
1PZI 1.99 Å, Heat-Labile Enterotoxin B-Pentamer Complexed With Nitrophenyl Galactoside 2a
1LT3 2.0 Å, Heat-labile enterotoxin double mutant N40C/G166C
1LT4 2.0 Å, Heat-labile enterotoxin mutant S63K
1LTI 2.13 Å, Heat-labile enterotoxin (lt-I) complex with T-antigen

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