2025-11-15_00000096
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ligand
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9HD4
LecB in complex with photoswitchable compound GTB;
X-ray diffraction 1.49Å
Protein #1
114 residues (100% resolved)
Raw Sequence ...
ATQGVFTLPANTQFGVTAFANSAGTQTVNVQVNNETVATFTGQSTNNAIIGSKVLNSGGGGKVQILVSVNGRSSDLVSAQVILANELNFALVGSEDSTDNDYNDAVVVINWPLG
Canonical Sequence ...
ATQGVFTLPANTQFGVTAFANSAGTQTVNVQVNNETVATFTGQSTNNAIIGSKVLNSGGGGKVQILVSVNGRSSDLVSAQVILANELNFALVGSEDSTDNDYNDAVVVINWPLG
Non polymer #2
A1IT5
InChI=1S/C19H23N3O6S/c1-12-17(23)19(25)18(24)16(28-12)11-20-29(26,27)15-9-7-14(8-10-15)22-21-13-5-3-2-4-6-13/h2-10,12,16-20,23-25H,11H2,1H3/b22-21-/t12-,16+,17+,18+,19+/m0/s1
InChI=1S/C19H23N3O6S/c1-12-17(23)19(25)18(24)16(28-12)11-20-29(26,27)15-9-7-14(8-10-15)22-21-13-5-3-2-4-6-13/h2-10,12,16-20,23-25H,11H2,1H3/b22-21-/t12-,16+,17+,18+,19+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CNS(=O)(=O)c2ccc(cc2)/N=N\c3ccccc3)O)O)O
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CNS(=O)(=O)c2ccc(cc2)/N=N\c3ccccc3)O)O)O
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Biounit #1
homo-tetramer
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Model
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