› 6ee4

X-ray diffraction
1.58Å resolution

X-ray crystal structure of Pf-M1 in complex with inhibitor (6m) and catalytic zinc ion

Released:
DOI: 10.2210/pdb6ee4/pdb
PDB entry 6ee4 coloured by chain, front view.
PDB entry 6ee4 coloured by chain, side view.
PDB entry 6ee4 coloured by chain, top view.
Source organism: Plasmodium falciparum FcB1/Columbia
Primary publication:
Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
Vinh NB, Drinkwater N, Malcolm TR, Kassiou M, Lucantoni L, Grin PM, Butler GS, Duffy S, Overall CM, Avery VM, Scammells PJ, McGowan S
J Med Chem 62 622-640 (2019)
PMID: 30537832

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132164 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:

Ligands and Environments

5 bound ligands:
Ligand ZN 1 x ZN
Ligand J4S 1 x J4S
Ligand GOL 5 x GOL
Ligand PO4 3 x PO4
Ligand MG 5 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P212121
Unit cell:
a: 75.11Å b: 108.86Å c: 118.08Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.158 0.189
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Structural Insights Into Key Plasmodium Proteases as Therapeutic Drug Targets.
Mishra et al. (2019)
1 more

1 mention without 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)