› 5t5u

X-ray diffraction
1.8Å resolution

Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a methylpyridyl-dipihenyl-pyridine ligand

Released:
DOI: 10.2210/pdb5t5u/pdb
PDB entry 5t5u coloured by chain, front view.
PDB entry 5t5u coloured by chain, side view.
PDB entry 5t5u 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
OpenAccess logo 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-Gold(DE3)pLysS AG'
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 75T 1 x 75T
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P212121
Unit cell:
a: 51.035Å b: 58.403Å c: 152.635Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.209 0.238
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

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)