› 6bdq

X-ray diffraction
1.83Å resolution

Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000074 (Compound 10a) Complex

Released:
DOI: 10.2210/pdb6bdq/pdb
PDB entry 6bdq coloured by chain, front view.
PDB entry 6bdq coloured by chain, side view.
PDB entry 6bdq coloured by chain, top view.
Source organism: Schistosoma mansoni
Primary publication:
Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.
Rugel A, Tarpley RS, Lopez A, Menard T, Guzman MA, Taylor AB, Cao X, Kovalskyy D, Chevalier FD, Anderson TJC, Hart PJ, LoVerde PT, McHardy SF
ACS Med Chem Lett 9 967-973 (2018)
PMID: 30344901

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-124461 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sulfotransferase oxamniquine resistance protein Chain: A
Molecule details ›
Chain: A
Length: 259 amino acids
Theoretical weight: 29.99 KDa
Source organism: Schistosoma mansoni
Expression system: Escherichia coli
UniProt:
  • Canonical: G4VLE5 (Residues: 1-257; Coverage: 100%)
Gene names: SULT-OR, Smp_089320
Sequence domains: Sulfotransferase domain
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
Ligand A3P 1 x A3P
Ligand DE7 1 x DE7
1 modified residue:
Ligand SME 1 x SME

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21212
Unit cell:
a: 139.447Å b: 38.668Å c: 54.14Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.184 0.216
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Chemotherapy for human schistosomiasis: how far have we come? What's new? Where do we go from here?
Dziwornu et al. (2020)
1 more