2024-08-10_00000041|ligand|8OXS

Cholera holotoxin variant (chimera with E. coli heat-labile enterotoxin, 4 C-terminal substitutions); X-ray diffraction 1.60Å

Protein #1 240 residues (96% resolved)

Raw Sequence ...

NDDKLYRADSRPPDEIKQSGGLMPRGQSEYFDRGTQMNINLYDHARGTQTGFVRHDDGYVSTSISLRSAHLVGQTILSGHSTYYIYVIATAPNMFNVNDVLGAYSPHPDEQEVSALGGIPYSQIYGWYRVHFGVLDEQLHRNRGYRDRYYSNLDIAPAADGYGLAGFPPEHRAWREEPWIHHAPPGCGNAPRSSMSNTCDEKTQSLGVKFLDEYQSKVKRQIFSGYQSEVDIYNRIKDEL

Canonical Sequence ...

Protein #2 103 residues (100% resolved)

Raw Sequence ...

TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN

Canonical Sequence ...

TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN

Non polymer #3 EPE

InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)

SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O

C1CN(CCN1CCO)CCS(=O)(=O)O

Non polymer #4 GAL

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1

SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O

C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O

Non polymer #5 GLA

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1

SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O

C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O

Non polymer #6 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Biounit #1 hetero-1-5-mer

Biounit #2 hetero-1-5-mer

Reference