6B4D

Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative.

Replaces:  5CJL

Summary for 6B4D

DescriptorCarbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ... (6 entities in total)
Functional Keywordscarbonic anhydrase, inhibitor, carboxylic acid, lyase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm  P00918
Total number of polymer chains1
Total molecular weight29515.71
Authors
Lomelino, C.L.,Mahon, B.P.,McKenna, R. (deposition date: 2017-09-26, release date: 2018-02-07, Last modification date: 2018-04-18)
Primary citation
Cadoni, R.,Pala, N.,Lomelino, C.,Mahon, B.P.,McKenna, R.,Dallocchio, R.,Dessi, A.,Carcelli, M.,Rogolino, D.,Sanna, V.,Rassu, M.,Iaccarino, C.,Vullo, D.,Supuran, C.T.,Sechi, M.
Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors.
ACS Med Chem Lett, 8:941-946, 2017
PubMed: 28947941 (PDB entries with the same primary citation)
DOI: 10.1021/acsmedchemlett.7b00229
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.196 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.1552003.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution