5ZAN

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
Authors
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
X-RAY DIFFRACTION (2.85 Å)
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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
no rotation
Molmil generated image of 5zan
rotated about x axis by 90°
Molmil generated image of 5zan
rotated about y axis by 90°