Lactate Dehydrogenase in complex with inhibitor compound 31

Summary for 4R68

DescriptorL-lactate dehydrogenase A chain, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... (6 entities in total)
Functional Keywordsoxidoreductase, nicotinamide adenine dinucleaotide
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm P00338
Total number of polymer chains4
Total molecular weight152372.56
Eigenbrot, C.,Ultsch, M. (deposition date: 2014-08-22, release date: 2014-12-24)
Primary citation
Labadie, S.,Dragovich, P.S.,Chen, J.,Fauber, B.P.,Boggs, J.,Corson, L.B.,Ding, C.Z.,Eigenbrot, C.,Ge, H.,Ho, Q.,Lai, K.W.,Ma, S.,Malek, S.,Peterson, D.,Purkey, H.E.,Robarge, K.,Salphati, L.,Sideris, S.,Ultsch, M.,VanderPorten, E.,Wei, B.,Xu, Q.,Yen, I.,Yue, Q.,Zhang, H.,Zhang, X.,Zhou, A.
Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25:75-82, 2014
PubMed: 25466195 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2014.11.008
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.19830.2%1.6%1.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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