Crystal structure of FK1 domain of FKBP52 in complex with a bio- inspired hybrid fluorescent ligand

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 37% strand (DSSP).

Ligands and binding sites

• K0T · (2~{S})-5-carbamimidamido-2-[[(2~{S})-2-[[(2~{S})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid · 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

• 6RCY · Crystal structure of FK1 domain of FKBP52 in complex with a bio-inspired hybrid… · the same entry in another collection · chain A against A, TM-score 1.00
• Q02790 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP4 (Q02790) · a predicted model of the same protein · chain A against A, TM-score 0.93

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 Q02790
• Elsewhere: RCSB PDB 6RCY · PDBe 6RCY · UniProt Q02790