The FK1 domain of FKBP51 in complex with (S)-(R)-3-(3,4- dimethoxyphenyl)-1-(3-(2-MORPHOLINOETHOXY)PHENYL)PROPYL 1-((1R,4AR, 8AR)-4-oxodecahydronaphthalene-1-CARBONYL)PIPERIDINE-2-carboxylate

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 35% strand (DSSP).

Ligands and binding sites

• L2Q · [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate · 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

• 6SAF · The Fk1 domain of FKBP51 in complex with (S)-(R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-morpholin… · 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 0.97

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 6SAF · PDBe 6SAF · UniProt Q13451