› 4woe

X-ray diffraction
2.3Å resolution

The duplicated taurocyamine kinase from Schistosoma mansoni with bound transition state analog (TSA) components

Released:
DOI: 10.2210/pdb4woe/pdb
PDB entry 4woe coloured by chain, front view.
PDB entry 4woe coloured by chain, side view.
PDB entry 4woe coloured by chain, top view.
Source organism: Schistosoma mansoni
Primary publication:
The substrate-free and -bound crystal structures of the duplicated taurocyamine kinase from the human parasite Schistosoma mansoni.
Merceron R, Awama AM, Montserret R, Marcillat O, Gouet P
J Biol Chem 290 12951-63 (2015)
PMID: 25837252

Function and Biology Details

Reaction catalysed: 
ATP + taurocyamine = ADP + N-phosphotaurocyamine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147784 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Taurocyamine kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 716 amino acids
Theoretical weight: 80.42 KDa
Source organism: Schistosoma mansoni
Expression system: Escherichia coli
UniProt:
  • Canonical: P16641 (Residues: 31-746; Coverage: 96%)
Gene name: Smp_194770
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand ADP 4 x ADP
Ligand 3S5 4 x 3S5
Ligand MG 3 x MG
Ligand NO3 2 x NO3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P21
Unit cell:
a: 107.695Å b: 122.22Å c: 63.06Å
α: 90° β: 108.06° γ: 90°
R-values:
R R work R free
0.189 0.186 0.256
Expression system: Escherichia coli

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Citations

1 review citation

Natural Products Containing 'Rare' Organophosphorus Functional Groups.
Petkowski et al. (2019)
2 other articles

1 mention without citation

The substrate-free and -bound crystal structures of the duplicated taurocyamine kinase from the human parasite Schistosoma mansoni.
Merceron et al. (2015)