› 6gnu

X-ray diffraction
1.54Å resolution

Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand

Released:
DOI: 10.2210/pdb6gnu/pdb
PDB entry 6gnu coloured by chain, front view.
PDB entry 6gnu coloured by chain, side view.
PDB entry 6gnu coloured by chain, top view.
Source organism: Leishmania major
Primary publication:
A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
Harrison JR, Brand S, Smith V, Robinson DA, Thompson S, Smith A, Davies K, Mok N, Torrie LS, Collie I, Hallyburton I, Norval S, Simeons FRC, Stojanovski L, Frearson JA, Brenk R, Wyatt PG, Gilbert IH, Read KD
J Med Chem 61 8374-8389 (2018)
PMID: 30207721

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: 438 amino acids
Theoretical weight: 50.51 KDa
Source organism: Leishmania major
Expression system: Escherichia coli
UniProt:
  • Canonical: Q4Q5S8 (Residues: 5-421; Coverage: 99%)
Gene names: LMJF_32_0080, NMT
Sequence domains:
Structure domains: Aminopeptidase

Ligands and Environments


Cofactor: Ligand MYA 1 x MYA
1 bound ligand:
Ligand F5Z 1 x F5Z
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P21
Unit cell:
a: 48.309Å b: 89.934Å c: 52.884Å
α: 90° β: 114.74° γ: 90°
R-values:
R R work R free
0.158 0.157 0.185
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Recent Advances in Indazole-Containing Derivatives: Synthesis and Biological Perspectives.
Zhang et al. (2018)
3 more

1 mention without citation

A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
Harrison et al. (2018)