7AOT

The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone

Summary for 7AOT

• Entry DOI: 10.2210/pdb7aot/pdb
• Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone (3 entities in total)
• Functional Keywords: fk-506 binding domain, hsp90 cochaperone, immunophiline, peptidyl-prolyl isomerase, ligand selectivity, chaperone
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 14661.82

Authors

Voll, A.M.,Meyners, C.,Heymann, T.,Merz, S.,Purder, P.,Bracher, A.,Hausch, F. (deposition date: 2020-10-15, release date: 2021-04-21, Last modification date: 2024-01-31)

• Primary citation: Voll, A.M.,Meyners, C.,Taubert, M.C.,Bajaj, T.,Heymann, T.,Merz, S.,Charalampidou, A.,Kolos, J.,Purder, P.L.,Geiger, T.M.,Wessig, P.,Gassen, N.C.,Bracher, A.,Hausch, F.; Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.; Angew.Chem.Int.Ed.Engl., 60:13257-13263, 2021; PubMed: 33843131; DOI: 10.1002/anie.202017352

Experimental method

X-RAY DIFFRACTION (0.85 Å)