2025-01-11_00000334
|
ligand
|
9GPQ
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12h/p;
X-ray diffraction 1.35Å
Protein #1
128 residues (100% resolved)
Raw Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Canonical Sequence ...
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
Non polymer #2
A1INQ
InChI=1S/C32H46N4O6/c1-22-15-17-35-21-25(33-34-35)13-8-10-18-41-32(38)26-14-7-9-16-36(26)31(37)29(23-11-5-4-6-12-23)24-19-27(39-2)30(40-3)28(20-24)42-22/h19-23,26,29H,4-18H2,1-3H3/t22-,26+,29+/m1/s1
InChI=1S/C32H46N4O6/c1-22-15-17-35-21-25(33-34-35)13-8-10-18-41-32(38)26-14-7-9-16-36(26)31(37)29(23-11-5-4-6-12-23)24-19-27(39-2)30(40-3)28(20-24)42-22/h19-23,26,29H,4-18H2,1-3H3/t22-,26+,29+/m1/s1
SMILES: C[C@@H]1CCn2cc(nn2)CCCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)O1)C5CCCCC5
C[C@@H]1CCn2cc(nn2)CCCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)O1)C5CCCCC5
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%