2024-06-08_00000042
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ligand
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8OJP
Human galectin 1 in complex with inhibitor;
X-ray diffraction 1.71Å
Protein #1
135 residues (99% resolved)
Raw Sequence ...
MACGLVASNLNLKPGE(CME)LRVRGEVAPDAKSFVLNLGKDSNNLCLHFNPRFNAHGDANTIVCNSKDGGAWGTEQREAVFPFQPGSVAEV(CME)ITFDQANLTVKLPDGYEFKFPNRLNLEAINYMAADGDFKIK(CME)VAFD
Canonical Sequence ...
MACGLVASNLNLKPGECLRVRGEVAPDAKSFVLNLGKDSNNLCLHFNPRFNAHGDANTIVCNSKDGGAWGTEQREAVFPFQPGSVAEVCITFDQANLTVKLPDGYEFKFPNRLNLEAINYMAADGDFKIKCVAFD
Non polymer #2
VPZ
InChI=1S/C17H15Cl2FN4O4S2/c18-8-3-7(4-9(19)12(8)20)30-17-15(27)13(14(26)11(6-25)28-17)24-5-10(22-23-24)16-21-1-2-29-16/h1-5,11,13-15,17,25-27H,6H2/t11-,13+,14+,15-,17-/m1/s1
InChI=1S/C17H15Cl2FN4O4S2/c18-8-3-7(4-9(19)12(8)20)30-17-15(27)13(14(26)11(6-25)28-17)24-5-10(22-23-24)16-21-1-2-29-16/h1-5,11,13-15,17,25-27H,6H2/t11-,13+,14+,15-,17-/m1/s1
SMILES: c1csc(n1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)Sc4cc(c(c(c4)Cl)F)Cl)CO)O
c1csc(n1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)Sc4cc(c(c(c4)Cl)F)Cl)CO)O
Biounit #1
homo-dimer
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Model
Reference
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