FKBP12 in complex with the bmp potentiator compound 6 at 1.03A resolution

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 38% strand (DSSP).

Ligands and binding sites

• OP5 · (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S}, 23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1, 14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3, 10,16-tetrone · ligand · chains A
• CD · Cadmium ion · metal · chains A
• NA · Sodium ion · metal · chains A
• CL · Chloride ion · ion · 2 copies · 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

• 6YF2 · FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution · the same entry in another collection · chain A against A, TM-score 1.00
• P62942 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP1A (P62942) · 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 P62942
• Elsewhere: RCSB PDB 6YF2 · PDBe 6YF2 · UniProt P62942