› 1lij

X-ray diffraction
1.86Å resolution

STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO PRODRUG 2 7-IODOTUBERCIDIN AND AMP-PCP

Released:
DOI: 10.2210/pdb1lij/pdb
PDB entry 1lij coloured by chain, front view.
PDB entry 1lij coloured by chain, side view.
PDB entry 1lij coloured by chain, top view.
Source organism: Toxoplasma gondii
Primary publication:
Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding.
Schumacher MA, Scott DM, Mathews II, Ealick SE, Roos DS, Ullman B, Brennan RG
J Mol Biol 298 875-93 (2000)
PMID: 10801355

Function and Biology Details

Reaction catalysed: 
ATP + adenosine = ADP + AMP
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-193585 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosine kinase Chain: A
Molecule details ›
Chain: A
Length: 363 amino acids
Theoretical weight: 38.37 KDa
Source organism: Toxoplasma gondii
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9TVW2 (Residues: 1-363; Coverage: 100%)
Gene name: AK
Sequence domains: pfkB family carbohydrate kinase
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand CL 1 x CL
Ligand MG 1 x MG
Ligand RPP 1 x RPP
Ligand ACP 1 x ACP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P21212
Unit cell:
a: 167.7Å b: 46.97Å c: 44.09Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.185 0.239
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Adenosine kinase: exploitation for therapeutic gain.
Boison D. (2013)
3 more

2 mentions without citation

A medicinal chemist's guide to molecular interactions.
Bissantz et al. (2010)
1 more