2025-03-22_00000305
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ligand
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9LYG
Crystal structure of FKBP12 complexed with Small Molecule Anchor for Protein-201;
X-ray diffraction 1.26Å
Protein #1
111 residues (96% resolved)
Raw Sequence ...
GSHMGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE
Canonical Sequence ...
GSHMGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE
Non polymer #2
A1L7S
InChI=1S/C24H35N3O5S/c1-30-21-15-14-18(17-22(21)31-2)9-8-13-23-25-24(32-26-23)20-12-6-7-16-27(20)33(28,29)19-10-4-3-5-11-19/h14-15,17,19-20H,3-13,16H2,1-2H3/t20-/m0/s1
InChI=1S/C24H35N3O5S/c1-30-21-15-14-18(17-22(21)31-2)9-8-13-23-25-24(32-26-23)20-12-6-7-16-27(20)33(28,29)19-10-4-3-5-11-19/h14-15,17,19-20H,3-13,16H2,1-2H3/t20-/m0/s1
SMILES: COc1ccc(cc1OC)CCCc2nc(on2)[C@@H]3CCCCN3S(=O)(=O)C4CCCCC4
COc1ccc(cc1OC)CCCc2nc(on2)[C@@H]3CCCCN3S(=O)(=O)C4CCCCC4
Biounit #1
monomer
Download coordinates
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Model
Reference
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