Glutathione S-Transferase Omega 1 bound to covalent inhibitor 37

Summary for 6MHC

DescriptorGlutathione S-transferase omega-1, methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate, DIMETHYL SULFOXIDE, ... (6 entities in total)
Functional Keywordstransferase, transferase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight57111.92
Petrunak, E.M.,Stuckey, J.A. (deposition date: 2018-09-17, release date: 2019-02-20)
Primary citation
Dai, W.,Samanta, S.,Xue, D.,Petrunak, E.M.,Stuckey, J.A.,Han, Y.,Sun, D.,Wu, Y.,Neamati, N.
Structure-based Design of N-(5-phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors.
J. Med. Chem., 2019
PubMed: 30735370 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.8b01960
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2261 0.4% 1.7% 0.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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