Crystal structure of isocitrate dehydrogenase from legionella pneumophila with bound NADPH with an alpha-ketoglutarate adduct

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).

Ligands and binding sites

• GLY · Glycine · ligand · 3 copies · chains A
• EE1 · (3~{S})-3-[(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]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid · ligand · 2 copies · chains A, B
• CL · Chloride ion · ion · chains A

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

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 4002 Ų buried · 59 hydrogen bonds · protein-protein

Compared structures

• 6C0E · Crystal Structure of Isocitrate Dehydrogenase from Legionella pneumophila with bound… · 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 Q5ZXB6
• Elsewhere: RCSB PDB 6C0E · PDBe 6C0E · UniProt Q5ZXB6