› 6xrp

X-ray diffraction
2.4Å resolution

Crystal structure of GlpG in complex with peptide ketoamide inhibitor, Ac-RVWHA-ketoamide-phenylbutyl

Released:
DOI: 10.2210/pdb6xrp/pdb
PDB entry 6xrp coloured by chain, front view.
PDB entry 6xrp coloured by chain, side view.
PDB entry 6xrp coloured by chain, top view.
Source organisms:
Primary publication:
Designed Parasite-Selective Rhomboid Inhibitors Block Invasion and Clear Blood-Stage Malaria.
Gandhi S, Baker RP, Cho S, Stanchev S, Strisovsky K, Urban S
Cell Chem Biol 27 1410-1424.e6 (2020)
PMID: 32888502

Function and Biology Details

Reaction catalysed: 
Cleaves type-1 transmembrane domains using a catalytic dyad composed of serine and histidine that are contributed by different transmembrane domains.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-531155 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Rhomboid protease GlpG Chain: A
Molecule details ›
Chain: A
Length: 211 amino acids
Theoretical weight: 23.82 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P09391 (Residues: 87-276; Coverage: 69%)
Gene names: JW5687, b3424, glpG
Sequence domains: Rhomboid family
peptide ketoamide inhibitor Chain: B
Molecule details ›
Chain: B
Length: 6 amino acids
Theoretical weight: 741 Da
Source organism: Drosophila melanogaster
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand V87 1 x V87
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F1
Spacegroup: R32
Unit cell:
a: 109.46Å b: 109.46Å c: 129.471Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.233 0.233 0.243
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

1 review citation

Targeting the Plasmodium falciparum proteome and organelles for potential antimalarial drug candidates.
Abugri et al. (2022)
5 other articles

1 mention without citation

Designed Parasite-Selective Rhomboid Inhibitors Block Invasion and Clear Blood-Stage Malaria.
Gandhi et al. (2020)