2025-01-11_00000353
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ligand
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9GQB
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog p5(2,1)-Diol-II;
X-ray diffraction 2.00Å
Protein #1
128 residues (100% resolved)
Raw Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Canonical Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Non polymer #2
A1IN8
InChI=1S/C27H39NO8/c1-33-22-14-18-15-23(34-2)25(22)36-16-21(30)20(29)11-13-35-27(32)19-10-6-7-12-28(19)26(31)24(18)17-8-4-3-5-9-17/h14-15,17,19-21,24,29-30H,3-13,16H2,1-2H3/t19-,20-,21-,24-/m0/s1
InChI=1S/C27H39NO8/c1-33-22-14-18-15-23(34-2)25(22)36-16-21(30)20(29)11-13-35-27(32)19-10-6-7-12-28(19)26(31)24(18)17-8-4-3-5-9-17/h14-15,17,19-21,24,29-30H,3-13,16H2,1-2H3/t19-,20-,21-,24-/m0/s1
SMILES: COc1cc2cc(c1OC[C@@H]([C@H](CCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4)O)O)OC
COc1cc2cc(c1OC[C@@H]([C@H](CCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4)O)O)OC
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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