Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor imp-0000906

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 27% strand (DSSP).

Ligands and binding sites

• MYA · Tetradecanoyl-coa · ligand · chains A
• HXQ · 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl) quinazoline-6-sulfonamide · ligand · chains A
• HZ5 · ~{N}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide · ligand · chains A
• HZ8 · ~{N}4-ethyl-~{N}2,~{N}4-dimethyl-~{N}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine · ligand · chains A
• MG · Magnesium ion · metal · chains A

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.

Compared structures

• 6QDH · Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000906 · 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 Q4Q5S8
• Elsewhere: RCSB PDB 6QDH · PDBe 6QDH · UniProt Q4Q5S8