S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-806

Summary for 2Z78

DescriptorGeranylgeranyl pyrophosphate synthetase, 3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium (3 entities in total)
Functional Keywordsprenyltransferase, geranylgeranyl pyrophosphate, bisphosphonate, carotenoid biosynthesis, isoprene biosynthesis, multifunctional enzyme, protein transport, transport, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceSaccharomyces cerevisiae (Baker's yeast)
Cellular locationCytoplasm (By similarity) Q12051
Total number of polymer chains2
Total molecular weight79671.04
Chen, C.K.-M.,Guo, R.T.,Hudock, M.,Cao, R.,Oldfield, E.,Wang, A.H.-J. (deposition date: 2007-08-16, release date: 2008-07-08, Last modification date: 2011-07-13)
Primary citation
Chen, C.K.-M.,Hudock, M.P.,Zhang, Y.,Guo, R.-T.,Cao, R.,No, J.H.,Liang, P.-H.,Ko, T.-P.,Chang, T.-H.,Chang, S.-C.,Song, Y.,Axelson, J.,Kumar, A.,Wang, A.H.-J.,Oldfield, E.
Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51:5594-5607, 2008
PubMed: 18800762 (PDB entries with the same primary citation)
DOI: 10.1021/jm800325y
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23115 0.5% 3.2% 4.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-09-23