› 5t6e

X-ray diffraction
2.3Å resolution

Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-dimethylpyridyl-methoxy-phenyl-pyridyl-piperazine ligand

Released:
DOI: 10.2210/pdb5t6e/pdb
PDB entry 5t6e coloured by chain, front view.
PDB entry 5t6e coloured by chain, side view.
PDB entry 5t6e coloured by chain, top view.
Source organism: Aspergillus fumigatus Af293
Primary publication:
Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
Bayliss T, Robinson DA, Smith VC, Brand S, McElroy SP, Torrie LS, Mpamhanga C, Norval S, Stojanovski L, Brenk R, Frearson JA, Read KD, Gilbert IH, Wyatt PG
J Med Chem 60 9790-9806 (2017)
PMID: 29125744

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:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-194113 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glycylpeptide N-tetradecanoyltransferase Chain: A
Molecule details ›
Chain: A
Length: 411 amino acids
Theoretical weight: 47.44 KDa
Source organism: Aspergillus fumigatus Af293
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9UVX3 (Residues: 86-492; Coverage: 83%)
Gene names: AFUA_4G08070, nmt1
Sequence domains:
Structure domains: Aminopeptidase

Ligands and Environments


Cofactor: Ligand MYA 1 x MYA
1 bound ligand:
Ligand 75R 1 x 75R
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P212121
Unit cell:
a: 51.276Å b: 58.339Å c: 152.1Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.196 0.248
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

N-Myristoyltransferase as a Glycine and Lysine Myristoyltransferase in Cancer, Immunity, and Infections.
Kosciuk et al. (2020)
1 more

1 mention without citation

Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
Bayliss et al. (2017)