2025-04-12_00000224|ligand|9G3L

LecB from PA01 in complex with synthetic beta - fucosylamide; X-ray diffraction 1.74Å
Protein #1 114 residues (100% resolved)

ATQGVFTLPANTRFGVTAFANSSGTQTVNVLVNNETAATFSGQSTNNAVIGTQVLNSGSSGKVQVQVSVNGRPSDLVSAQVILTNELNFALVGSEDGTDNDYNDAVVVINWPLG

ATQGVFTLPANTRFGVTAFANSSGTQTVNVLVNNETAATFSGQSTNNAVIGTQVLNSGSSGKVQVQVSVNGRPSDLVSAQVILTNELNFALVGSEDGTDNDYNDAVVVINWPLG
Non polymer #2 A1IH4

InChI=1S/C15H18N2O5/c1-7-11(18)12(19)13(20)15(22-7)17-14(21)9-2-3-10-8(6-9)4-5-16-10/h2-7,11-13,15-16,18-20H,1H3,(H,17,21)/t7-,11+,12+,13-,15-/m0/s1

C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)NC(=O)c2ccc3c(c2)cc[nH]3)O)O)O
Non polymer #3 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #4 R7E

InChI=1S/C18H22N2O6/c1-9-14(21)15(22)16(23)18(25-9)20-17(24)13-6-5-12(26-13)11-4-2-3-10(7-11)8-19/h2-7,9,14-16,18,21-23H,8,19H2,1H3,(H,20,24)/t9-,14+,15+,16-,18-/m0/s1

C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)NC(=O)c2ccc(o2)c3cccc(c3)CN)O)O)O
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Reference