2W1F

Structure determination of Aurora Kinase in complex with inhibitor

Summary for 2W1F

Related1MUO 2J50 1OL7 1OL6 2BMC 2C6E 2J4Z 1OL5 2C6D 1MQ4 2W1G 2W1C 2W1I 2W1D 2W1H 2W1E
DescriptorSERINE/THREONINE-PROTEIN KINASE 6, N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE (3 entities in total)
Functional Keywordscancer, aurora, kinase, inhibitor, nucleotide-binding, serine/threonine-protein kinase, transferase, atp-binding, polymorphism, phosphoprotein, cell cycle
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains1
Total molecular weight32461.26
Authors
Primary citation
Howard, S.,Berdini, V.,Boulstridge, J.A.,Carr, M.G.,Cross, D.M.,Curry, J.,Devine, L.A.,Early, T.R.,Fazal, L.,Gill, A.L.,Heathcote, M.,Maman, S.,Matthews, J.E.,Mcmenamin, R.L.,Navarro, E.F.,O'Brien, M.A.,O'Reilly, M.,Rees, D.C.,Reule, M.,Tisi, D.,Williams, G.,Vinkovic, M.,Wyatt, P.G.
Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52:379-, 2009
PubMed: 19143567 (PDB entries with the same primary citation)
DOI: 10.1021/JM800984V
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.85 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.341142.8%9.9%6.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 2w1f
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Molmil generated image of 2w1f
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Molmil generated image of 2w1f
rotated about y axis by 90°