5WG7

Human Carbonic Anhydrase II complexed with AceK

Summary for 5WG7

DescriptorCarbonic anhydrase 2, Acesulfame, ZINC ION, ... (5 entities in total)
Functional Keywordscarbonic anhydrase, acesulfame, inhibitor, lyase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm  P00918
Total number of polymer chains1
Total molecular weight30253.24
Authors
Murray, A.B.,Lomelino, C.L.,Supuran, C.T.,McKenna, R. (deposition date: 2017-07-13, release date: 2018-02-07, Last modification date: 2018-02-21)
Primary citation
Murray, A.B.,Lomelino, C.L.,Supuran, C.T.,McKenna, R.
"Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.
J. Med. Chem., 61:1176-1181, 2018
PubMed: 29266943 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.7b01470
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.45 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.176400.5%1.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution