17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 15% strand (DSSP).

Ligands and binding sites

• NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
• 9MB · 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol · ligand · chains A
• BGC · beta-D-glucopyranose · sugar · chains A
• NA · Sodium ion · metal · 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

• 5O6O · 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9BPX1 · AlphaFold monomer V2.0 prediction for 17-beta-hydroxysteroid dehydrogenase 14 (Q9BPX1) · a predicted model of the same protein · chain A 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 Q9BPX1
• Elsewhere: RCSB PDB 5O6O · PDBe 5O6O · UniProt Q9BPX1