› 2i6b

X-ray diffraction
2.3Å resolution

Human Adenosine Kinase in Complex with An Acetylinic Inhibitor

Released:
DOI: 10.2210/pdb2i6b/pdb
PDB entry 2i6b coloured by chain, front view.
PDB entry 2i6b coloured by chain, side view.
PDB entry 2i6b coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes.
Muchmore SW, Smith RA, Stewart AO, Cowart MD, Gomtsyan A, Matulenko MA, Yu H, Severin JM, Bhagwat SS, Lee CH, Kowaluk EA, Jarvis MF, Jakob CL
J Med Chem 49 6726-31 (2006)
PMID: 17154503

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157283 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosine kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 345 amino acids
Theoretical weight: 38.76 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P55263 (Residues: 20-362; Coverage: 95%)
Gene name: ADK
Sequence domains: pfkB family carbohydrate kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 89I 2 x 89I
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 71.18Å b: 58.2Å c: 89.21Å
α: 90° β: 107.54° γ: 90°
R-values:
R R work R free
0.221 0.221 0.291
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Limitations and lessons in the use of X-ray structural information in drug design.
Davis et al. (2008)
2 more

4 mentions without citation

Development of Novel Anti-Leishmanials: The Case for Structure-Based Approaches.
Soni et al. (2022)
3 more