2025-11-29_00000184
|
ligand
|
9QD7
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 15a;
X-ray diffraction 2.26Å
Protein #1
128 residues (97% resolved)
Raw Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Canonical Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Non polymer #2
A1I5X
InChI=1S/C26H37NO7/c1-30-21-16-19-17-22(31-2)24(21)33-14-12-32-13-15-34-26(29)20-10-6-7-11-27(20)25(28)23(19)18-8-4-3-5-9-18/h16-18,20,23H,3-15H2,1-2H3/t20-,23-/m0/s1
InChI=1S/C26H37NO7/c1-30-21-16-19-17-22(31-2)24(21)33-14-12-32-13-15-34-26(29)20-10-6-7-11-27(20)25(28)23(19)18-8-4-3-5-9-18/h16-18,20,23H,3-15H2,1-2H3/t20-,23-/m0/s1
SMILES: COc1cc2cc(c1OCCOCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4)OC
COc1cc2cc(c1OCCOCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4)OC
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%