6H34

The crystal structure of human carbonic anhydrase II in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide.

Summary for 6H34

Related6H2Z 6H33
DescriptorCarbonic anhydrase 2, ZINC ION, 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, ... (5 entities in total)
Functional Keywordsprotein-inhibitor binding, benzenesulfonamide, lyase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight30012.24
Authors
Primary citation
Buemi, M.R.,Di Fiore, A.,De Luca, L.,Angeli, A.,Mancuso, F.,Ferro, S.,Monti, S.M.,Buonanno, M.,Russo, E.,De Sarro, G.,De Simone, G.,Supuran, C.T.,Gitto, R.
Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163:443-452, 2018
PubMed: 30530195 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2018.11.073
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.55 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.19920 0.5% 2.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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