5DIT
The Fk1 domain of FKBP51 in complex with the new synthetic ligand (1R)-3-(3,4-dimethoxyphenyl)-1-f3-[2-(morpholin-4-yl)ethoxy]phenylgpropyl(2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate
Summary for 5DIT
Entry DOI | 10.2210/pdb5dit/pdb |
Descriptor | Peptidyl-prolyl cis-trans isomerase FKBP5, (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate (3 entities in total) |
Functional Keywords | fk-506 binding domain, hsp90 cochaperone, immunophiline, peptidyl-prolyl isomerase, ligand selectivity, isomerase |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm: Q13451 |
Total number of polymer chains | 1 |
Total formula weight | 14706.95 |
Authors | Feng, X.,Sippel, C.,Bracher, A.,Hausch, F. (deposition date: 2015-09-01, release date: 2015-10-14, Last modification date: 2024-05-08) |
Primary citation | Feng, X.,Sippel, C.,Bracher, A.,Hausch, F. Structure-Affinity Relationship Analysis of Selective FKBP51 Ligands. J.Med.Chem., 58:7796-7806, 2015 Cited by PubMed: 26419422DOI: 10.1021/acs.jmedchem.5b00785 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.25 Å) |
Structure validation
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