2026-07-04_00000124
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ligand
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9RQX
Galectin-3 with a bound inhibitor;
X-ray diffraction 1.40Å
Protein #1
138 residues (100% resolved)
Raw Sequence ...
PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
Canonical Sequence ...
PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
Non polymer #2
A1JII
InChI=1S/C19H23F3N4O5S/c1-3-25(2)14(28)8-32-19-18(30)16(17(29)13(7-27)31-19)26-6-12(23-24-26)9-4-10(20)15(22)11(21)5-9/h4-6,13,16-19,27,29-30H,3,7-8H2,1-2H3/t13-,16+,17+,18-,19+/m1/s1
InChI=1S/C19H23F3N4O5S/c1-3-25(2)14(28)8-32-19-18(30)16(17(29)13(7-27)31-19)26-6-12(23-24-26)9-4-10(20)15(22)11(21)5-9/h4-6,13,16-19,27,29-30H,3,7-8H2,1-2H3/t13-,16+,17+,18-,19+/m1/s1
SMILES: CCN(C)C(=O)CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)n2cc(nn2)c3cc(c(c(c3)F)F)F)O
CCN(C)C(=O)CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)n2cc(nn2)c3cc(c(c(c3)F)F)F)O
Non polymer #3
SCN
InChI=1S/CHNS/c2-1-3/h3H/p-1
InChI=1S/CHNS/c2-1-3/h3H/p-1
SMILES: C(#N)[S-]
C(#N)[S-]
Biounit #1
monomer
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Model
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