2024-05-11_00000234|ligand|8ST6

Hsa Siglec + Unique domains bound to Neu5Gc alpha2,3 Gal beta OMe; X-ray diffraction 1.45Å

Protein #1 234 residues (87% resolved)

Raw Sequence ...

LNTNQSVSARNQNARVRTRRAVAANDTEAPQVKSGDYVVYRGESFEYYAEITDNSGQVNRVVIRNVEGGANSTYLSPNWVKYSTENLGRPGNATVQNPLRTRIFGEVPLNEIVNEKSYYTRYIVAWDPSGNATQMVDNANRNGLERFVLTVKSQNEKYDPAESSVTYVNNLSNLSTSEREAVAAAVRAANPNIPPTAKITVSQNGTVTITYPDKSTDTIPANRVVKDLQISKSN

Canonical Sequence ...

Non polymer #2 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Non polymer #3 USR

InChI=1S/C18H31NO15/c1-31-16-13(28)15(12(27)8(4-21)32-16)34-18(17(29)30)2-6(23)10(19-9(25)5-22)14(33-18)11(26)7(24)3-20/h6-8,10-16,20-24,26-28H,2-5H2,1H3,(H,19,25)(H,29,30)/t6-,7-,8+,10+,11+,12-,13-,14+,15-,16+,18-/m0/s1

InChI=1S/C18H31NO15/c1-31-16-13(28)15(12(27)8(4-21)32-16)34-18(17(29)30)2-6(23)10(19-9(25)5-22)14(33-18)11(26)7(24)3-20/h6-8,10-16,20-24,26-28H,2-5H2,1H3,(H,19,25)(H,29,30)/t6-,7-,8+,10+,11+,12-,13-,14+,15-,16+,18-/m0/s1

SMILES: CO[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O[C@@]2(C[C@@H]([C@H]([C@H](O2)[C@H]([C@H](CO)O)O)NC(=O)CO)O)C(=O)O)O

CO[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO)O)O[C@@]2(C[C@@H]([C@H]([C@H](O2)[C@H]([C@H](CO)O)O)NC(=O)CO)O)C(=O)O)O

Biounit #1 monomer

Reference