2024-06-08_00000277
|
ligand
|
9EU9
The FK1 domain of FKBP51 in complex with SAFit-analog 15i;
X-ray diffraction 1.80Å
Protein #1
128 residues (100% resolved)
Raw Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Canonical Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Non polymer #2
A1H7C
InChI=1S/C27H35ClN2O6S/c1-33-20-13-18(14-21(34-2)24(20)35-3)23(17-9-5-4-6-10-17)26(31)30-12-8-7-11-19(30)27(32)36-15-22-25(28)29-16-37-22/h13-14,16-17,19,23H,4-12,15H2,1-3H3/t19-,23-/m0/s1
InChI=1S/C27H35ClN2O6S/c1-33-20-13-18(14-21(34-2)24(20)35-3)23(17-9-5-4-6-10-17)26(31)30-12-8-7-11-19(30)27(32)36-15-22-25(28)29-16-37-22/h13-14,16-17,19,23H,4-12,15H2,1-3H3/t19-,23-/m0/s1
SMILES: COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)OCc4c(ncs4)Cl
COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)OCc4c(ncs4)Cl
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%