› 5ag4

X-ray diffraction
1.99Å resolution

CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND

Released:
DOI: 10.2210/pdb5ag4/pdb
PDB entry 5ag4 coloured by chain, front view.
PDB entry 5ag4 coloured by chain, side view.
PDB entry 5ag4 coloured by chain, top view.
Source organism: Leishmania major
Primary publication:
Development of Small-Molecule Trypanosoma brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Spinks D, Smith V, Thompson S, Robinson DA, Luksch T, Smith A, Torrie LS, McElroy S, Stojanovski L, Norval S, Collie IT, Hallyburton I, Rao B, Brand S, Brenk R, Frearson JA, Read KD, Wyatt PG, Gilbert IH
ChemMedChem 10 1821-36 (2015)
PMID: 26395087

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 N8N 1 x N8N
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 48.71Å b: 90.884Å c: 53.867Å
α: 90° β: 113.48° γ: 90°
R-values:
R R work R free
0.186 0.182 0.247
Expression system: Escherichia coli

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Citations

4 review citations

Screening Marine Natural Products for New Drug Leads against Trypanosomatids and Malaria.
Álvarez-Bardón et al. (2020)
3 more

3 mentions without citation

Development of Small-Molecule Trypanosoma brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Spinks et al. (2015)
2 more