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

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 34% strand (DSSP).

Ligands and binding sites

• RTT · (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 · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Compared structures

• 7AOU · The Fk1 domain of FKBP51 in complex with (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethox… · the same entry in another collection · chain A against A, TM-score 1.00
• Q13451 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP5 (Q13451) · a predicted model of the same protein · chain A against A, TM-score 0.94

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q13451
• Elsewhere: RCSB PDB 7AOU · PDBe 7AOU · UniProt Q13451