› 6qdf

X-ray diffraction
1.49Å resolution

Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000096

Released:
DOI: 10.2210/pdb6qdf/pdb
PDB entry 6qdf coloured by chain, front view.
PDB entry 6qdf coloured by chain, side view.
PDB entry 6qdf coloured by chain, top view.
Source organism: Leishmania major
Primary publication:
Novel Thienopyrimidine Inhibitors of Leishmania N-Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
Bell AS, Yu Z, Hutton JA, Wright MH, Brannigan JA, Paape D, Roberts SM, Sutherell CL, Ritzefeld M, Wilkinson AJ, Smith DF, Leatherbarrow RJ, Tate EW
J Med Chem 63 7740-7765 (2020)
PMID: 32575985

Function and Biology Details

Reaction catalysed: 
Tetradecanoyl-CoA + an N-terminal-glycyl-[protein] = CoA + an N-terminal-N-tetradecanoylglycyl-[protein]
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175678 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glycylpeptide N-tetradecanoyltransferase Chain: A
Molecule details ›
Chain: A
Length: 421 amino acids
Theoretical weight: 48.57 KDa
Source organism: Leishmania major
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q4Q5S8 (Residues: 1-421; Coverage: 100%)
Gene names: LMJF_32_0080, NMT
Sequence domains:

Ligands and Environments


Cofactor: Ligand MYA 1 x MYA
2 bound ligands:
Ligand MG 1 x MG
Ligand HWN 1 x HWN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P21
Unit cell:
a: 47.519Å b: 90.286Å c: 53.01Å
α: 90° β: 111.83° γ: 90°
R-values:
R R work R free
0.174 0.172 0.213
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

A Not-So-Ancient Grease History: Click Chemistry and Protein Lipid Modifications.
Suazo et al. (2021)
3 more

2 mentions without citation

Novel Thienopyrimidine Inhibitors of Leishmania N-Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
Bell et al. (2020)
1 more