Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand

Summary for 6HJJ

DescriptorAurora kinase A, ~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide, CHLORIDE ION, ... (6 entities in total)
Functional Keywordsprotein kinase, mitosis, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight33878.89
Bayliss, R.,McIntyre, P.J. (deposition date: 2018-09-04, release date: 2018-10-03, Last modification date: 2018-10-31)
Primary citation
Ocasio, C.A.,Warkentin, A.A.,McIntyre, P.J.,Barkovich, K.J.,Vesely, C.,Spencer, J.,Shokat, K.M.,Bayliss, R.
Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases.
ACS Chem. Biol., 13:2956-2965, 2018
PubMed: 30239186 (PDB entries with the same primary citation)
DOI: 10.1021/acschembio.8b00592
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.27210 0.4% 3.8% 5.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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