Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide

Summary for 4RUY

Related4RUX 4RUZ
DescriptorCarbonic anhydrase 2, ZINC ION, 4-propoxybenzenesulfonamide, ... (5 entities in total)
Functional Keywordsmetalloenzyme, analgesic, lyase
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm  P00918
Total number of polymer chains1
Total molecular weight29877.1
Pinard, M.A.,Mckenna, R. (deposition date: 2014-11-23, release date: 2015-04-22, Last modification date: 2017-11-22)
Primary citation
Carta, F.,Di Cesare Mannelli, L.,Pinard, M.,Ghelardini, C.,Scozzafava, A.,McKenna, R.,Supuran, C.T.
A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23:1828-1840, 2015
PubMed: 25766630 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2015.02.027
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.201400.5%8.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4ruy
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Molmil generated image of 4ruy
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Molmil generated image of 4ruy
rotated about y axis by 90°