› 6b54

X-ray diffraction
1.8Å resolution

Schistosoma haematobium (Blood Fluke) Sulfotransferase/Oxamniquine Complex, S166T Mutant

Released:
DOI: 10.2210/pdb6b54/pdb
PDB entry 6b54 coloured by chain, front view.
PDB entry 6b54 coloured by chain, side view.
PDB entry 6b54 coloured by chain, top view.
Source organism: Schistosoma haematobium
Primary publication:
Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Rugel AR, Guzman MA, Taylor AB, Chevalier FD, Tarpley RS, McHardy SF, Cao X, Holloway SP, Anderson TJC, Hart PJ, LoVerde PT
Int. J. Parasitol. (2020)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-100718 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nad dependent epimerase/dehydratase Chain: A
Molecule details ›
Chain: A
Length: 253 amino acids
Theoretical weight: 29.28 KDa
Source organism: Schistosoma haematobium
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: A0A094ZWQ2 (Residues: 17-266; Coverage: 94%)
Gene name: MS3_07706
Sequence domains: Sulfotransferase domain
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
Ligand A3P 1 x A3P
Ligand OAQ 1 x OAQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: C2221
Unit cell:
a: 52.307Å b: 73.142Å c: 138.871Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.187 0.229
Expression system: Escherichia coli BL21

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