2025-04-12_00000223
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ligand
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9G3K
LecB from PA01 in complex with synthetic beta - fucosylamide;
X-ray diffraction 1.55Å
Protein #1
114 residues (100% resolved)
Raw Sequence ...
ATQGVFTLPANTRFGVTAFANSSGTQTVNVLVNNETAATFSGQSTNNAVIGTQVLNSGSSGKVQVQVSVNGRPSDLVSAQVILTNELNFALVGSEDGTDNDYNDAVVVINWPLG
Canonical Sequence ...
ATQGVFTLPANTRFGVTAFANSSGTQTVNVLVNNETAATFSGQSTNNAVIGTQVLNSGSSGKVQVQVSVNGRPSDLVSAQVILTNELNFALVGSEDGTDNDYNDAVVVINWPLG
Non polymer #2
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #3
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
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
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)NC(=O)c2ccc(o2)c3cccc(c3)CN)O)O)O
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)NC(=O)c2ccc(o2)c3cccc(c3)CN)O)O)O
Biounit #1
homo-tetramer
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Model
Reference
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