Crystal Structure of Aurora-A in complex with a new Quinazoline inhibitor

Summary for 5ZAN

DescriptorAurora kinase A, 7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine (2 entities in total)
Functional Keywordsdrug design, transferase, transferase-inhibitor complex, transferase/inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight32985.88
Cheng, B.,Lu, G.,Zhou, H. (deposition date: 2018-02-07, release date: 2019-02-13)
Primary citation
Long, L.,Peng, W.,Pan, Y.,Cheng, B.,Tu, Z.,Long, Z.,Zhou, H.,Liu, Q.,Lu, G.
Optimization of Novel Quinazolines as Potent and Orally Bioavailable Aurora Kinase Inhibitors
To Be Published,
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2797 1.6% 1.6% 4.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5zan
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Molmil generated image of 5zan
rotated about x axis by 90°
Molmil generated image of 5zan
rotated about y axis by 90°