Structure of the FKBP51FK1 domain in complex with the macrocyclic safit analogue 35-(E)

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 35% strand (DSSP).

Ligands and binding sites

• IS8 · isothiocyanate · ligand · 3 copies · chains A
• T58 · 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione · 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, 1 with a druggability of 0.5 or more.

Compared structures

• 7B9Z · Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 35-(E) · 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 0.96

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 7B9Z · PDBe 7B9Z · UniProt Q13451