Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with an inhibitor

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 41% strand (DSSP).

Ligands and binding sites

• K28 · [(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S}, 4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl) oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate · ligand · chains A
• CIT · Citric acid · additive · 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

• 6RGF · Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with an inhibitor · 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 Q8Y8D7
• Elsewhere: RCSB PDB 6RGF · PDBe 6RGF · UniProt Q8Y8D7