2025-11-29_00000187
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ligand
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9QDA
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 29b;
X-ray diffraction 2.00Å
Protein #1
128 residues (100% resolved)
Raw Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Canonical Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Non polymer #2
A1I55
InChI=1S/C27H39NO7/c1-18-17-33-13-14-34-25-22(31-2)15-20(16-23(25)32-3)24(19-9-5-4-6-10-19)26(29)28-12-8-7-11-21(28)27(30)35-18/h15-16,18-19,21,24H,4-14,17H2,1-3H3/t18-,21+,24+/m1/s1
InChI=1S/C27H39NO7/c1-18-17-33-13-14-34-25-22(31-2)15-20(16-23(25)32-3)24(19-9-5-4-6-10-19)26(29)28-12-8-7-11-21(28)27(30)35-18/h15-16,18-19,21,24H,4-14,17H2,1-3H3/t18-,21+,24+/m1/s1
SMILES: C[C@@H]1COCCOc2c(cc(cc2OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O)O1)C4CCCCC4)OC
C[C@@H]1COCCOc2c(cc(cc2OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O)O1)C4CCCCC4)OC
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%