› 7tbc

X-ray diffraction
2.76Å resolution

Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382

Released:
DOI: 10.2210/pdb7tbc/pdb
PDB entry 7tbc coloured by chain, front view.
PDB entry 7tbc coloured by chain, side view.
PDB entry 7tbc coloured by chain, top view.
Source organism: Plasmodium falciparum
Primary publication:
Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Hodder AN, Christensen J, Scally S, Triglia T, Ngo A, Birkinshaw RW, Bailey B, Favuzza P, Dietrich MH, Tham WH, Czabotar PE, Lowes K, Guo Z, Murgolo N, Lera Ruiz M, McCauley JA, Sleebs BE, Olsen D, Cowman AF
Structure 30 947-961.e6 (2022)
PMID: 35460613

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-184729 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Plasmepsin X Chain: A
Molecule details ›
Chain: A
Length: 377 amino acids
Theoretical weight: 42.95 KDa
Source organism: Plasmodium falciparum
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q8IAS0 (Residues: 212-573; Coverage: 66%)
Gene names: PF3D7_0808200, PMX
Sequence domains: Eukaryotic aspartyl protease

Ligands and Environments

4 bound ligands:
Ligand EDO 15 x EDO
Ligand NAG 1 x NAG
Ligand PG4 1 x PG4
Ligand I0L 1 x I0L
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P3221
Unit cell:
a: 109.32Å b: 109.32Å c: 118.31Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.198 0.197 0.228
Expression system: Spodoptera frugiperda

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Citations

1 review citation

New targets for antimalarial drug discovery.
Guerra et al. (2022)
5 other articles