5KQ5

AMPK bound to allosteric activator

Summary for 5KQ5

Descriptor5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... (9 entities in total)
Functional Keywordskinase allosteric activator, transferase
Biological sourceRattus norvegicus (Rat)
Cellular locationCytoplasm  P54645
Total number of polymer chains3
Total molecular weight120426.34
Authors
Calabrese, M.F.,Kurumbail, R.G. (deposition date: 2016-07-05, release date: 2016-08-17, Last modification date: 2017-11-01)
Primary citation
Cameron, K.O.,Kung, D.W.,Kalgutkar, A.S.,Kurumbail, R.G.,Miller, R.,Salatto, C.T.,Ward, J.,Withka, J.M.,Bhattacharya, S.K.,Boehm, M.,Borzilleri, K.A.,Brown, J.A.,Calabrese, M.,Caspers, N.L.,Cokorinos, E.,Conn, E.L.,Dowling, M.S.,Edmonds, D.J.,Eng, H.,Fernando, D.P.,Frisbie, R.,Hepworth, D.,Landro, J.,Mao, Y.,Rajamohan, F.,Reyes, A.R.,Rose, C.R.,Ryder, T.,Shavnya, A.,Smith, A.C.,Tu, M.,Wolford, A.C.,Xiao, J.
Discovery and Preclinical Characterization of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic Acid (PF-06409577), a Direct Activator of Adenosine Monophosphate-activated Protein Kinase (AMPK), for the Potential Treatment of Diabetic Nephropathy.
J.Med.Chem., 59:8068-8081, 2016
PubMed: 27490827 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.6b00866
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3.41 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.26060.6%7.8%4.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution