2024-05-11_00000199|ligand|8QRE

Cholera holotoxin (wildtype); X-ray diffraction 2.30Å

Protein #1 240 residues (99% resolved)

Raw Sequence ...

NDDKLYRADSRPPDEIKQSGGLMPRGQSEYFDRGTQMNINLYDHARGTQTGFVRHDDGYVSTSISLRSAHLVGQTILSGHSTYYIYVIATAPNMFNVNDVLGAYSPHPDEQEVSALGGIPYSQIYGWYRVHFGVLDEQLHRNRGYRDRYYSNLDIAPAADGYGLAGFPPEHRAWREEPWIHHAPPGCGNAPRSSMSNTCDEKTQSLGVKFLDEYQSKVKRQIFSGYQSDIDTHNRIKDEL

Canonical Sequence ...

Protein #2 103 residues (100% resolved)

Raw Sequence ...

TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN

Canonical Sequence ...

TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN

Non polymer #3 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

SMILES: CC(=O)[O-]

CC(=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+]

Non polymer #7 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

SMILES: C(COCCO)O

C(COCCO)O

Biounit #1 hetero-1-5-mer

Biounit #2 hetero-1-5-mer

Reference