Catalytic Improvement of an Artificial Metalloenzyme by Computational Design

Summary for 5BRW

DescriptorCarbonic anhydrase 2, ZINC ION, SULFATE ION, ... (5 entities in total)
Functional Keywordsartificial metalloenzyme, lyase, imine reductase, transfer hydrogenase, oxidoreductase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm  P00918
Total number of polymer chains1
Total molecular weight29667.75
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: 2015-06-17, Last modification date: 2015-08-26)
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
PubMed: 26226626 (PDB entries with the same primary citation)
DOI: 10.1021/jacs.5b06622
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.197501.8%0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-09-16