The FK1 domain of FKBP51 in complex with (2S)-2-((1S,5R,6R)-10-((3,5- DICHLOROPHENYL)SULFONYL)-2-oxo-5-vinyl-3,10-DIAZABICYCLO[4.3.1]DECAN- 3-YL)PROPANOIC acid

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 35% strand (DSSP).

Ligands and binding sites

• RR5 · (2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid · ligand · 2 copies · chains A, B

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.

Interfaces

1 interface between chains.

• A–B · 540 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

• 7APS · The Fk1 domain of FKBP51 in complex with (2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfon… · 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 B against A, TM-score 0.99

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 7APS · PDBe 7APS · UniProt Q13451