2J50

Structure of Aurora-2 in complex with PHA-739358

Summary for 2J50

Related1MQ4 1MUO 1OL5 1OL6 1OL7 2BMC 2C6D 2C6E 2J4Z
DescriptorSERINE/THREONINE-PROTEIN KINASE 6, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, SULFATE ION (3 entities in total)
Functional Keywordstransferase, phosphorylation, nucleotide-binding, kinase, cell cycle, atp-binding, nucleotide- binding, serine/threonine-protein kinase, serine-threonine-protein kinase
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains2
Total molecular weight65879.39
Authors
Cameron, A.D.,Izzo, G.,Storici, P.,Rusconi, L.,Fancelli, D.,Varasi, M.,Berta, D.,Bindi, S.,Forte, B.,Severino, D.,Tonani, R.,Vianello, P. (deposition date: 2006-09-08, release date: 2006-11-06, Last modification date: 2019-04-03)
Primary citation
Fancelli, D.,Moll, J.,Varasi, M.,Bravo, R.,Artico, R.,Berta, D.,Bindi, S.,Cameron, A.D.,Candiani, I.,Cappella, P.,Carpinelli, P.,Croci, W.,Forte, B.,Giorgini, M.L.,Klapwijk, J.,Marsiglio, A.,Pesenti, E.,Rocchetti, M.,Roletto, F.,Severino, D.,Soncini, C.,Storici, P.,Tonani, R.,Zugnoni, P.,Vianello, P.
1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile.
J.Med.Chem., 49:7247-, 2006
PubMed: 17125279 (PDB entries with the same primary citation)
DOI: 10.1021/JM060897W
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21025 2.0% 5.9%0MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution