2026-09-12_00000232|ligand|9U2P

Crystal structure of the human galectin-3 carbohydrate-recognition domain in complex with SeDG-Bn; X-ray diffraction 1.20Å

Protein #1 142 residues (97% resolved)

Raw Sequence ...

GAMGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

Canonical Sequence ...

GAMGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

Non polymer #2 A1J1N

InChI=1S/C26H34O10Se/c27-11-17-19(29)23(33-13-15-7-3-1-4-8-15)21(31)25(35-17)37-26-22(32)24(20(30)18(12-28)36-26)34-14-16-9-5-2-6-10-16/h1-10,17-32H,11-14H2/t17-,18-,19-,20+,21-,22-,23+,24+,25-,26+/m1/s1

InChI=1S/C26H34O10Se/c27-11-17-19(29)23(33-13-15-7-3-1-4-8-15)21(31)25(35-17)37-26-22(32)24(20(30)18(12-28)36-26)34-14-16-9-5-2-6-10-16/h1-10,17-32H,11-14H2/t17-,18-,19-,20+,21-,22-,23+,24+,25-,26+/m1/s1

SMILES: c1ccc(cc1)CO[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)[Se][C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCc4ccccc4)O)CO)O

c1ccc(cc1)CO[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)[Se][C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCc4ccccc4)O)CO)O

Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

SMILES: [Cl-]

[Cl-]

Biounit #1 monomer

Reference