2026-07-04_00000125
|
ligand
|
9RQY
Galectin-3 with a bound inhibitor;
X-ray diffraction 1.30Å
Protein #1
138 residues (100% resolved)
Raw Sequence ...
PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
Canonical Sequence ...
PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
Non polymer #2
A1JIJ
InChI=1S/C18H22F3N3O5S/c1-18(2,7-26)30-17-16(28)14(15(27)12(6-25)29-17)24-5-11(22-23-24)8-3-9(19)13(21)10(20)4-8/h3-5,12,14-17,25-28H,6-7H2,1-2H3/t12-,14+,15+,16-,17+/m1/s1
InChI=1S/C18H22F3N3O5S/c1-18(2,7-26)30-17-16(28)14(15(27)12(6-25)29-17)24-5-11(22-23-24)8-3-9(19)13(21)10(20)4-8/h3-5,12,14-17,25-28H,6-7H2,1-2H3/t12-,14+,15+,16-,17+/m1/s1
SMILES: CC(C)(CO)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)n2cc(nn2)c3cc(c(c(c3)F)F)F)O
CC(C)(CO)S[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
Download coordinates
Tube
Model
Reference
100%