› 8fbq

X-ray diffraction
1.65Å resolution

Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 12b

Released:
DOI: 10.2210/pdb8fbq/pdb
PDB entry 8fbq coloured by chain, front view.
PDB entry 8fbq coloured by chain, side view.
PDB entry 8fbq coloured by chain, top view.
Source organism: Plasmodium vivax Sal-1
Primary publication:
Identification of potent and selective N-myristoyltransferase inhibitors of Plasmodium vivax liver stage hypnozoites and schizonts.
Rodríguez-Hernández D, Vijayan K, Zigweid R, Fenwick MK, Sankaran B, Roobsoong W, Sattabongkot J, Glennon EKK, Myler PJ, Sunnerhagen P, Staker BL, Kaushansky A, Grøtli M
OpenAccess logo Nat Commun 14 5408 (2023)
PMID: 37669940

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:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-500621 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glycylpeptide N-tetradecanoyltransferase Chain: A
Molecule details ›
Chain: A
Length: 386 amino acids
Theoretical weight: 45.1 KDa
Source organism: Plasmodium vivax Sal-1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A5K1A2 (Residues: 27-410; Coverage: 94%)
Gene name: PVX_085815
Sequence domains:

Ligands and Environments


Cofactor: Ligand MYA 1 x MYA
9 bound ligands:
Ligand XOQ 1 x XOQ
Ligand GOL 2 x GOL
Ligand SO4 7 x SO4
Ligand CL 4 x CL
Ligand ACT 1 x ACT
Ligand PEG 1 x PEG
Ligand 1PE 2 x 1PE
Ligand PG4 1 x PG4
Ligand PGE 1 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P43212
Unit cell:
a: 91.93Å b: 91.93Å c: 101.286Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.138 0.136 0.165
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 citation in other articles

Putative Contribution of 8-Aminoquinolines to Preventing Recrudescence of Malaria.
Markus MB. (2023)
1 more