7AOU

The Fk1 domain of FKBP51 in complex with (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone

Summary for 7AOU

• Entry DOI: 10.2210/pdb7aou/pdb
• Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone (3 entities in total)
• Functional Keywords: fkbp51, chaperone, immunophilin, macrocycle, transient binding pocket, isomerase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 14687.86

Authors

Voll, M.A.,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 (1.16 Å)