1JR0: Cholera toxin B-pentamer with ligand bmsc-0011

Name: PDB 1JR0: Cholera toxin B-pentamer with ligand bmsc-0011
Published: 2002-05-08
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: toxin

Cholera toxin B-pentamer with ligand bmsc-0011. Determined by X-ray diffraction at 1.3 Å resolution. Released 8 May 2002.

Method: X-ray diffraction
Resolution: 1.3 Å
Organism: Vibrio cholerae
Chains: 5
Atoms: 5,015
Mol. weight: 60.4 kDa
Ligands: A24
Released: 8 May 2002

Explore 1JR0 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1JR0 contains 20 α-helices and 30 β-strands across 5 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 and G: 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	59-78	20
α-helix	80-81	2
β-strand	82-88	7	1
β-strand	94-102	9	1

Chain E: 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	38-41	4	1
β-strand	47-50	4	1
α-helix	51-53	3
α-helix	59-78	20
α-helix	80-81	2
β-strand	82-88	7	1
β-strand	94-102	9	1

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

Element	Residues	Length	Sheet
α-helix	5-10	6
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	59-78	20
α-helix	80-81	2
β-strand	82-88	7	1
β-strand	94-102	9	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
cholera toxin B subunit	D, E, F, G, H	protein	103	Vibrio cholerae	P01556 (AlphaFold model)

Sequence of entity 1 (D, E, F, G, H), FASTA

>1JR0_1 cholera toxin B subunit (chains D, E, F, G, H)
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDS
QKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN

Ligands and cofactors

ID	Name	Formula	Copies
A24	(3-nitro-5-(2-morpholin-4-yl-ethylaminocarbonyl)phenyl)-galactopyranoside	C19 H27 N3 O10	5

Primary citation

Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes. Pickens, J.C., Merritt, E.A., Ahn, M. et al. Chem Biol (2002) 9:215-224. DOI 10.1016/S1074-5521(02)00097-2 · PubMed

Other PDB entries of the same protein (UniProt P01556 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5LZG 1.13 Å, Cholera toxin El Tor B-pentamer in complex with inhibitor PC262
5LZJ 1.2 Å, Cholera toxin El Tor B-pentamer in complex with inhibitor Laura237
3CHB 1.25 Å, Cholera toxin B-pentamer complexed with GM1 pentasaccharide
1RDP 1.35 Å, Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV3
1RF2 1.35 Å, Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV4
1RD9 1.44 Å, Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2
1MD2 1.45 Å, Cholera toxin B-pentamer with decavalent ligand bmsc-0013
5ELC 1.5 Å, Cholera toxin El Tor B-pentamer in complex with Lewis-y
6HJD 1.54 Å, Cholera toxin classical B-pentamer in complex with Lewis-x
5ELF 1.55 Å, Cholera toxin El Tor B-pentamer in complex with A-pentasaccharide
1RCV 1.6 Å, Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1
5ELE 1.6 Å, Cholera toxin El Tor B-pentamer in complex with A Lewis-y

Browse structure collections

About this viewer

MolViewer shows 1JR0 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.