2025-01-11_00000344
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ligand
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9GQ2
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog p5(1,1)-(E);
X-ray diffraction 2.30Å
Protein #1
128 residues (100% resolved)
Raw Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Canonical Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Non polymer #2
A1IN0
InChI=1S/C26H35NO6/c1-30-21-16-19-17-22(31-2)24(21)32-14-8-9-15-33-26(29)20-12-6-7-13-27(20)25(28)23(19)18-10-4-3-5-11-18/h8-9,16-18,20,23H,3-7,10-15H2,1-2H3/b9-8+/t20-,23-/m0/s1
InChI=1S/C26H35NO6/c1-30-21-16-19-17-22(31-2)24(21)32-14-8-9-15-33-26(29)20-12-6-7-13-27(20)25(28)23(19)18-10-4-3-5-11-18/h8-9,16-18,20,23H,3-7,10-15H2,1-2H3/b9-8+/t20-,23-/m0/s1
SMILES: COc1cc2cc(c1OC/C=C/COC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4)OC
COc1cc2cc(c1OC/C=C/COC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4)OC
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%