Crystal structure of an sdr from burkholderia ambifaria in complex with NADPH with a tcep adduct

Structure

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

Ligands and binding sites

• 9G1 · [(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl) phosphanium · ligand · chains A
• EDO · 1,2-ethanediol · additive · 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, 1 with a druggability of 0.5 or more.

Compared structures

• 5VPS · Crystal structure of an SDR from Burkholderia ambifaria in complex with NADPH with a TCEP… · the same entry in another collection · chain A against A, TM-score 1.00

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 B1YU47
• Elsewhere: RCSB PDB 5VPS · PDBe 5VPS · UniProt B1YU47