1RD9: Cholera Toxin B-Pentamer

Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2. Determined by X-ray diffraction at 1.44 Å resolution. Released 26 Oct 2004.

Method
X-ray diffraction
Resolution
1.44 Å
Organism
Vibrio cholerae
Chains
5
Atoms
4,733
Mol. weight
64.51 kDa
Ligands
BV2
Released
26 Oct 2004

Explore 1RD9 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1RD9 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.

Chain D: 4 helices, 6 β-strands

ElementResiduesLengthSheet
α-helix5-95
β-strand15-2281
β-strand26-3051
β-strand38-4141
β-strand47-5041
α-helix51-533
α-helix59-7820
α-helix80-812
β-strand82-8871
β-strand94-10291
Chain E: 4 helices, 6 β-strands
ElementResiduesLengthSheet
α-helix5-95
β-strand15-2281
β-strand26-3051
β-strand38-4141
β-strand47-5041
α-helix51-533
α-helix61-7818
α-helix80-812
β-strand82-8871
β-strand94-10291
Chain F: 4 helices, 6 β-strands
ElementResiduesLengthSheet
α-helix5-106
β-strand15-2281
β-strand26-3051
β-strand38-4141
β-strand47-5041
α-helix51-533
α-helix59-7820
α-helix80-812
β-strand82-8871
β-strand94-10291
Chains G and H: 4 helices, 6 β-strands
ElementResiduesLengthSheet
α-helix5-95
β-strand15-2281
β-strand26-3051
β-strand37-4151
β-strand47-5041
α-helix51-533
α-helix59-7820
α-helix80-812
β-strand82-8871
β-strand94-10291

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
cholera toxin B protein (CTB)D, E, F, G, Hprotein103Vibrio choleraeP01556 (AlphaFold model)
Sequence of entity 1 (D, E, F, G, H), FASTA
>1RD9_1 cholera toxin B protein (CTB) (chains D, E, F, G, H)
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDS
QKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN

Ligands and cofactors

IDNameFormulaCopies
BV21,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-pipera…C51 H79 N11 O225

Water and common crystallization additives (TRS, P6G) are not listed.

Primary citation

Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Pickens, J.C., Mitchell, D.D., Liu, J. et al. Chem Biol (2004) 11:1205-1215. DOI 10.1016/j.chembiol.2004.06.008 · PubMed

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

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