Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis

This is a large structure.

Summary for 6YQ3

DescriptorMonooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, ... (5 entities in total)
Functional Keywordslugdunomycin, keto-reduction, short chain alcohol reductase, rossmann fold, antibiotic
Biological sourceStreptomyces sp. QL37
Total number of polymer chains2
Total molecular weight55910.12
Xiao, X.,Elsayed, S.S.,Wu, C.,van der Heul, H.,Prota, A.,Huang, J.,Guo, R.,Abrahams, J.P.,van Wezel, G.P. (deposition date: 2020-04-16, release date: 2020-09-16, Last modification date: 2020-09-30)
Primary citation
Xiao, X.,Elsayed, S.S.,Wu, C.,van der Heul, H.U.,Metsa-Ketela, M.,Du, C.,Prota, A.E.,Chen, C.C.,Liu, W.,Guo, R.T.,Abrahams, J.P.,van Wezel, G.P.
Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15:2529-2538, 2020
PubMed: 32840360 (PDB entries with the same primary citation)
DOI: 10.1021/acschembio.0c00564
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.175300 3.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-09-30