2026-07-04_00000123
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ligand
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9RQW
Galectin-3 with a bound inhibitor;
X-ray diffraction 1.34Å
Protein #1
138 residues (100% resolved)
Raw Sequence ...
PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
Canonical Sequence ...
PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
Non polymer #2
A1JIH
InChI=1S/C17H20F3N3O5S/c1-27-2-3-29-17-16(26)14(15(25)12(7-24)28-17)23-6-11(21-22-23)8-4-9(18)13(20)10(19)5-8/h4-6,12,14-17,24-26H,2-3,7H2,1H3/t12-,14+,15+,16-,17+/m1/s1
InChI=1S/C17H20F3N3O5S/c1-27-2-3-29-17-16(26)14(15(25)12(7-24)28-17)23-6-11(21-22-23)8-4-9(18)13(20)10(19)5-8/h4-6,12,14-17,24-26H,2-3,7H2,1H3/t12-,14+,15+,16-,17+/m1/s1
SMILES: COCCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)n2cc(nn2)c3cc(c(c(c3)F)F)F)O
COCCS[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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