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)
Cellular locationCytoplasm, cytoskeleton, microtubule organizing center, centrosome O14965
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: 2015-07-29)
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 outliers0.210252.0%5.9%0MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 2j50
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Molmil generated image of 2j50
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Molmil generated image of 2j50
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More Biological unit images

Molmil generated image of 2j50
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Molmil generated image of 2j50
rotated about x axis by 90°
Molmil generated image of 2j50
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (2j50.pdb1.gz [40.99 KB])
Coordinate files for Biological unit (2j50.pdb2.gz [40.86 KB])