2 publications

2 publications

Computational Redesign of a Mononuclear Zinc Metalloenzyme for Organophosphate Hydrolysis

Baker, D.

Nat. Chem. Biol., 2012, 10.1038/NChemBio.777


Metal: Zn
Ligand type: Amino acid
Anchoring strategy: Dative
Optimization: Genetic
Max TON: >140
ee: ---
PDB: 3T1G
Notes: kcat/KM ≈ 104 M-1*s-1

Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design

Baker, D.; Ward, T.R.

J. Am. Chem. Soc., 2015, 10.1021/jacs.5b06622


Metal: Ir
Ligand type: Cp*; Pyridine sulfonamide
Anchoring strategy: Supramolecular
Optimization: Genetic
Max TON: 100
ee: 96
PDB: ---
Notes: ---