2024-06-08_00000278
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ligand
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9EUA
The FK1 domain of FKBP51 in complex with SAFit-analog 23d;
X-ray diffraction 2.50Å
Protein #1
128 residues (100% resolved)
Raw Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Canonical Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Non polymer #2
A1H7D
InChI=1S/C30H43N3O6/c1-5-14-32-19-21(18-31-32)20-39-30(35)24-13-9-10-15-33(24)29(34)27(22-11-7-6-8-12-22)23-16-25(36-2)28(38-4)26(17-23)37-3/h16-19,22,24,27H,5-15,20H2,1-4H3/t24-,27-/m0/s1
InChI=1S/C30H43N3O6/c1-5-14-32-19-21(18-31-32)20-39-30(35)24-13-9-10-15-33(24)29(34)27(22-11-7-6-8-12-22)23-16-25(36-2)28(38-4)26(17-23)37-3/h16-19,22,24,27H,5-15,20H2,1-4H3/t24-,27-/m0/s1
SMILES: CCCn1cc(cn1)COC(=O)[C@@H]2CCCCN2C(=O)[C@H](c3cc(c(c(c3)OC)OC)OC)C4CCCCC4
CCCn1cc(cn1)COC(=O)[C@@H]2CCCCN2C(=O)[C@H](c3cc(c(c(c3)OC)OC)OC)C4CCCCC4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%