7AWF
The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-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 7AWF
Entry DOI | 10.2210/pdb7awf/pdb |
Descriptor | Peptidyl-prolyl cis-trans isomerase FKBP5, (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-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 | fkbp51, chaperone, immunophilin, macrocycle, transient binding pocket, isomerase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 14681.85 |
Authors | Voll, M.A.,Meyners, C.,Heymann, T.,Merz, S.,Purder, P.,Bracher, A.,Hausch, F. (deposition date: 2020-11-07, 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 (1.4 Å) |
Structure validation
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