2XRU

AURORA-A T288E COMPLEXED WITH PHA-828300

Summary for 2XRU

Related1MUO 2X6D 2J50 2W1D 1OL6 2XNE 2BMC 2C6E 2J4Z 1OL5 2X81 2XNG 2C6D 2WTW 2WQE 2W1C 2W1G 2WTV 1OL7 2W1E 2W1F 2X6E 1MQ4
DescriptorSERINE/THREONINE-PROTEIN KINASE 6, 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE (2 entities in total)
Functional Keywordsnucleotide-binding, kinase, cell cycle, transferase
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains1
Total molecular weight32899.71
Authors
Primary citation
Bindi, S.,Fancelli, D.,Alli, C.,Berta, D.,Bertrand, J.A.,Cameron, A.D.,Cappella, P.,Carpinelli, P.,Cervi, G.,Croci, V.,D'Anello, M.,Forte, B.,Laura Giorgini, M.,Marsiglio, A.,Moll, J.,Pesenti, E.,Pittala, V.,Pulici, M.,Riccardi-Sirtori, F.,Roletto, F.,Soncini, C.,Storici, P.,Varasi, M.,Volpi, D.,Zugnoni, P.,Vianello, P.
Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity.
Bioorg.Med.Chem., 18:7113-, 2010
PubMed: 20817473 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMC.2010.07.048
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.9 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24945 6.8% 9.4% 5.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution