Brkic, H.
Insight of the iron binding and transport in Dke1 - A molecular dynamics study (2015), Croat. Chem. Acta, 88, 297-306 .
No PubMed abstract available
Crystallization (Commentary)
Crystallization (Comment) |
Organism |
molecular dynamic simulations with wild-type and mutants E88Q, R80A, Y70A of the Fe2+ free protein, of the enzyme with Fe2+ bound in the active site, without and with applying random force, and of the proteins with the metal ion located at the entrance of the water tunnel |
Acinetobacter johnsonii |
Protein Variants
Protein Variants |
Comment |
Organism |
E98Q |
an interplay of residues Glu98, His104, Glu11 (from the neighbor subunit), and Arg80 is the most important for the Fe2+ transport in and out of the protein |
Acinetobacter johnsonii |
R80A |
mutation causes relocation of Glu11 from neighbor subunit closer to His104, enabling formation of the Glu11(OE1/2)-His104(NE2H/CD2H) H-bond |
Acinetobacter johnsonii |
Y70A |
an interplay of residues Glu98, His104, Glu11 (from the neighbor subunit), and Arg80 is the most important for the Fe2+ transport in and out of the protein |
Acinetobacter johnsonii |
Metals/Ions
Metals/Ions |
Comment |
Organism |
Structure |
Iron |
an interplay of residues Glu98, His104, Glu11 (from the neighbor subunit), and Arg80 is the most important for the Fe2+ transport in and out of the protein. The Fe2+ ion when expelled from the binding site can be trapped at different locations within the enzyme. The neighborhood of residue Glu11 (form the neighbor subunit) is the second most favorable binding site for the Fe2+ ion after the active site |
Acinetobacter johnsonii |
|
Organism
Organism |
UniProt |
Comment |
Textmining |
Acinetobacter johnsonii |
Q8GNT2 |
- |
- |
Synonyms
Synonyms |
Comment |
Organism |
acetylacetone-cleaving enzyme |
- |
Acinetobacter johnsonii |
Dke1 |
- |
Acinetobacter johnsonii |