5BRU

Catalytic Improvement of an Artificial Metalloenzyme by Computational Design

Summary for 5BRU

Entry DOI	10.2210/pdb5bru/pdb
Descriptor	Carbonic anhydrase 2, ZINC ION, chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium, ... (5 entities in total)
Functional Keywords	artificial metalloenzyme, oxidoreductase
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm : P00918
Total number of polymer chains	1
Total formula weight	30343.08
Authors	Heinisch, T.,Pellizzoni, M.,Duerrenberger, M.,Tinberg, C.E.,Koehler, V.,Klehr, J.,Haeussinger, D.,Baker, D.,Ward, T.R. (deposition date: 2015-06-01, release date: 2015-06-24, Last modification date: 2024-01-10)
Primary citation	Heinisch, T.,Pellizzoni, M.,Durrenberger, M.,Tinberg, C.E.,Kohler, V.,Klehr, J.,Haussinger, D.,Baker, D.,Ward, T.R. Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137:10414-10419, 2015 Cited by PubMed: 26226626 DOI: 10.1021/jacs.5b06622 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation