Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104

Summary for 4QO8

DescriptorL-lactate dehydrogenase A chain, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... (7 entities in total)
Functional Keywordsoxidoreductase, nicotinamide adenine dinucleotide, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm P00338
Total number of polymer chains4
Total molecular weight151464.06
Eigenbrot, C.,Ultsch, M. (deposition date: 2014-06-19, release date: 2014-07-16, Last modification date: 2014-09-03)
Primary citation
Dragovich, P.S.,Fauber, B.P.,Boggs, J.,Chen, J.,Corson, L.B.,Ding, C.Z.,Eigenbrot, C.,Ge, H.,Giannetti, A.M.,Hunsaker, T.,Labadie, S.,Li, C.,Liu, Y.,Liu, Y.,Ma, S.,Malek, S.,Peterson, D.,Pitts, K.E.,Purkey, H.E.,Robarge, K.,Salphati, L.,Sideris, S.,Ultsch, M.,VanderPorten, E.,Wang, J.,Wei, B.,Xu, Q.,Yen, I.,Yue, Q.,Zhang, H.,Zhang, X.,Zhou, A.
Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24:3764-3771, 2014
PubMed: 25037916 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2014.06.076
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers70.2%1.2%1.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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