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 Cited by PubMed: 33843131DOI: 10.1002/anie.202017352 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (0.85 Å) |
Structure validation
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