Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products

Replaces:  3IQK

Summary for 4FIK

DescriptorCarbonic anhydrase 2, ZINC ION, 2,4-dihydroxybenzenesulfenic acid, ... (8 entities in total)
Functional Keywordscarbonic anhydrase ii, human carbonic anhydrase ii, hca ii, hca2, ca ii, ca2, carbonate dehydratase ii, carbonic anhydrase c, thioxolone, 4-mercaptobenzene-1, 3-diol, 4-(2, 4-dihydroxyphenyl) disulfanylbenzene-1, disease mutation, lyase, metal-binding
Biological sourceHomo sapiens (human)
Total number of polymer chains1
Total molecular weight30200.42
Sippel, K.H.,Genis, C.,Govindasamy, L.,Agbandje-McKenna, M.,Tripp, B.C.,McKenna, R. (deposition date: 2012-06-08, release date: 2012-06-27, Last modification date: 2019-07-17)
Primary citation
Sippel, K.H.,Genis, C.,Govindasamy, L.,Agbandje-McKenna, M.,Kiddle, J.J.,Tripp, B.C.,McKenna, R.
Synchrotron Radiation Provides a Plausible Explanation for the Generation of a Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II.
J Phys Chem Lett, 1:2898-2902, 2010
PubMed: 20976122 (PDB entries with the same primary citation)
DOI: 10.1021/jz100954h
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.14930 1.4% 3.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution