Structure of slyd delta-if from thermus thermophilus in complex with FK506

Structure

x-ray diffraction · 2 distinct chains · 15% helix, 42% strand (DSSP).

Ligands and binding sites

• FK5 · 8-deethyl-8-[but-3-enyl]-ascomycin · ligand · 2 copies · chains A, B
• ZN · Zinc ion · metal · 3 copies · chains A, B
• CL · Chloride ion · ion · 2 copies · chains A, B
• GOL · Glycerol · additive · 6 copies · chains A, B
• ACT · Acetate ion · additive · 3 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 582 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

• 4ODR · Structure of SlyD delta-IF from Thermus thermophilus in complex with FK506 · 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 0.80

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 Q5SLE7
• Every structure of UniProt P62942
• Elsewhere: RCSB PDB 4ODR · PDBe 4ODR · UniProt Q5SLE7 · UniProt P62942