› 8ez4

X-ray diffraction
1.89Å resolution

Plasmodium falciparum M17 in complex with inhibitor 9aa

Released:
DOI: 10.2210/pdb8ez4/pdb
Model geometry
Fit model/data
PDB entry 8ez4 coloured by chain, front view.
PDB entry 8ez4 coloured by chain, side view.
PDB entry 8ez4 coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Calic PPS, Vinh NB, Webb CT, Malcolm TR, Ngo A, Lowes K, Drinkwater N, McGowan S, Scammells PJ
Eur J Med Chem 248 115051 (2022)
PMID: 36634455

Function and Biology Details

Reaction catalysed: 
Release of an N-terminal amino acid, Xaa-|-Yaa-, in which Xaa is preferably Leu, but may be other amino acids including Pro although not Arg or Lys, and Yaa may be Pro. Amino acid amides and methyl esters are also readily hydrolyzed, but rates on arylamides are exceedingly low.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184810 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Leucine aminopeptidase Chains: A, B, C, D, E, F, G, H, I, J, K, L
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 527 amino acids
Theoretical weight: 58.58 KDa
Source organism: Plasmodium falciparum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8IL11 (Residues: 85-605; Coverage: 86%)
Gene names: LAP, PF3D7_1446200
Sequence domains: Cytosol aminopeptidase family, catalytic domain

Ligands and Environments

7 bound ligands:
Ligand X10 12 x X10
Ligand SO4 13 x SO4
Ligand 1PE 30 x 1PE
Ligand CO3 12 x CO3
Ligand ZN 24 x ZN
Ligand NA 9 x NA
Ligand 2PE 1 x 2PE
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P212121
Unit cell:
a: 173.94Å b: 176.6Å c: 230.901Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.177 0.216
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Marine Invertebrates: A Promissory Still Unexplored Source of Inhibitors of Biomedically Relevant Metallo Aminopeptidases Belonging to the M1 and M17 Families.
Pascual Alonso et al. (2023)