3N45

Human FPPS complex with FBS_04 and zoledronic acid/MG2+

Summary for 3N45

Related3N1V 3N1W 3N3L 3N46 3N49 3N5H 3N5J 3N6K
DescriptorFARNESYL PYROPHOSPHATE SYNTHASE, (2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, ZOLEDRONIC ACID, ... (6 entities in total)
Functional Keywordsbisphosphonate; fragment-based screening; transferase; isoprene biosynthesis; cholesterol biosynthesis, transferase, transferase-transferase inhibiator complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm P14324
Total number of polymer chains1
Total molecular weight41016.11
Authors
Rondeau, J.-M. (deposition date: 2010-05-21, release date: 2010-08-18, Last modification date: 2011-07-13)
Primary citation
Jahnke, W.,Rondeau, J.M.,Cotesta, S.,Marzinzik, A.,Pelle, X.,Geiser, M.,Strauss, A.,Gotte, M.,Bitsch, F.,Hemmig, R.,Henry, C.,Lehmann, S.,Glickman, J.F.,Roddy, T.P.,Stout, S.J.,Green, J.R.
Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6:660-666, 2010
PubMed: 20711197 (PDB entries with the same primary citation)
DOI: 10.1038/nchembio.421
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.88 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.224600.3%12.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution