Two way mode of binding of antithyroid drug methimazole to mammalian heme peroxidases: Structure of the complex of lactoperoxidase with methimazole at 1.97 Angstrom resolution

Summary for 5FF1

DescriptorLactoperoxidase, 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE, N-ACETYL-D-GLUCOSAMINE, ... (8 entities in total)
Functional Keywordsinhibitor, peroxidase, oxidoreductase
Biological sourceCapra hircus (Goat)
Total number of polymer chains2
Total molecular weight140115.04
Singh, R.P.,Singh, A.,Sirohi, H.,Singh, A.K.,Kaur, P.,Sharma, S.,Singh, T.P. (deposition date: 2015-12-17, release date: 2016-01-13, Last modification date: 2016-07-27)
Primary citation
Singh, R.P.,Singh, A.,Sirohi, H.V.,Singh, A.K.,Kaur, P.,Sharma, S.,Singh, T.P.
Dual binding mode of antithyroid drug methimazole to mammalian heme peroxidases - structural determination of the lactoperoxidase-methimazole complex at 1.97 angstrom resolution.
Febs Open Bio, 6:640-650, 2016
PubMed: 27398304 (PDB entries with the same primary citation)
DOI: 10.1002/2211-5463.12051
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.22680.9%3.1%4.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution