5LZG: Cholera toxin El Tor B-pentamer

Cholera toxin El Tor B-pentamer in complex with inhibitor PC262. Determined by X-ray diffraction at 1.13 Å resolution. Released 31 May 2017.

Method
X-ray diffraction
Resolution
1.13 Å
Organism
Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
Chains
5
Atoms
5,042
Mol. weight
61.89 kDa
Ligands
7BN, MRD
Released
31 May 2017

Explore 5LZG in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5LZG 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 A and C: 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-helix61-7818
α-helix80-812
β-strand82-8871
β-strand94-10291
Chain B: 4 helices, 6 β-strands
ElementResiduesLengthSheet
α-helix5-95
β-strand15-2391
β-strand26-3051
β-strand37-4151
β-strand47-5041
α-helix51-533
α-helix60-7819
α-helix801
β-strand81-8881
β-strand94-10291
Chain D: 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-helix60-7819
α-helix80-812
β-strand82-8871
β-strand94-10291
Chain E: 4 helices, 6 β-strands
ElementResiduesLengthSheet
α-helix5-95
β-strand15-2391
β-strand26-3051
β-strand37-4151
β-strand47-5041
α-helix51-533
α-helix61-7818
α-helix801
β-strand81-8881
β-strand94-10291

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Cholera enterotoxin subunit BA, B, C, D, Eprotein103Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)P01556 (AlphaFold model)
Sequence of entity 1 (A, B, C, D, E), FASTA
>5LZG_1 Cholera enterotoxin subunit B (chains A, B, C, D, E)
TPQNITDLCAEYHNTQIYTLNDKIFSYTESLAGKREMAIITFKNGAIFQVEVPGSQHIDS
QKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN

Ligands and cofactors

IDNameFormulaCopies
7BN(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R…C24 H39 N5 O145
MRD(4R)-2-methylpentane-2,4-diolC6 H14 O21

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

Primary citation

Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics. Heggelund, J.E., Mackenzie, A., Martinsen, T. et al. Sci Rep (2017) 7:2326-2326. DOI 10.1038/s41598-017-02179-0 · 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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