› 6eu5

X-ray diffraction
1.5Å resolution

Leishmania major N-myristoyltransferase with bound myristoyl-CoA and inhibitor

Released:
DOI: 10.2210/pdb6eu5/pdb
PDB entry 6eu5 coloured by chain, front view.
PDB entry 6eu5 coloured by chain, side view.
PDB entry 6eu5 coloured by chain, top view.
Source organism: Leishmania major
Primary publication:
How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using N-Myristoyltransferases as a Model System.
Kersten C, Fleischer E, Kehrein J, Borek C, Jaenicke E, Sotriffer C, Brenk R
J Med Chem 63 2095-2113 (2020)
PMID: 31423787

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 BXN 1 x BXN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-1
Spacegroup: P21
Unit cell:
a: 48.77Å b: 90.59Å c: 53.42Å
α: 90° β: 114.141° γ: 90°
R-values:
R R work R free
0.171 0.169 0.203
Expression system: Escherichia coli

Quick links

Citations

4 citation in other articles

QSAR and Pharmacophore Modeling of Nitrogen Heterocycles as Potent Human N-Myristoyltransferase (Hs-NMT) Inhibitors.
Zaki et al. (2021)
3 more