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 Cited by PubMed: 33843131DOI: 10.1002/anie.202017352 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.16 Å) |
Structure validation
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