5NY1

Carbonic Anhydrase II Inhibitor RA10

Summary for 5NY1

Related5NXG 5NXI 5NXM 5NXO 5NXP 5NXV 5NXW
DescriptorCarbonic anhydrase 2, ZINC ION, 3,6,7-trimethyl-~{N}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide, ... (4 entities in total)
Functional Keywordscarbonic anhydrase ii, ca inhibitor, lyase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm  P00918
Total number of polymer chains1
Total molecular weight29370.49
Authors
Brynda, J.,Rezacova, P.,Horejsi, M.,Fanfrlik, J. (deposition date: 2017-05-11, release date: 2018-01-17, Last modification date: 2018-04-18)
Primary citation
Pecina, A.,Brynda, J.,Vrzal, L.,Gnanasekaran, R.,Horejsi, M.,Eyrilmez, S.M.,Rezac, J.,Lepsik, M.,Rezacova, P.,Hobza, P.,Majer, P.,Veverka, V.,Fanfrlik, J.
Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19:873-879, 2018
PubMed: 29316128 (PDB entries with the same primary citation)
DOI: 10.1002/cphc.201701104
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.1 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.163200.5%1.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution