Structure of Aurora-A bound to a selective imidazopyrazine inhibitor

Summary for 2XNG

Related1MUO 2X6D 2J50 2W1D 1OL6 2BMC 2J4Z 2C6E 1OL5 2X81 2C6D 2WTW 2WQE 2W1C 2W1G 2WTV 1OL7 2W1E 2W1F 2X6E 1MQ4 2XNE
DescriptorSERINE/THREONINE-PROTEIN KINASE 6, N-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide (3 entities in total)
Functional Keywordsser-thr protein kinase complex, proto-oncogene, kinase, mitosis, cell cycle, microtubule, transferase, cytoskeleton, cell division
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm, cytoskeleton, microtubule organizing center, centrosome  O14965
Total number of polymer chains1
Total molecular weight33333.67
Kosmopoulou, M.,Bayliss, R. (deposition date: 2010-08-02, release date: 2010-09-22, Last modification date: 2018-02-28)
Primary citation
Bouloc, N.,Large, J.M.,Kosmopoulou, M.,Sun, C.,Faisal, A.,Matteucci, M.,Reynisson, J.,Brown, N.,Atrash, B.,Blagg, J.,McDonald, E.,Linardopoulos, S.,Bayliss, R.,Bavetsias, V.
Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells.
Bioorg. Med. Chem. Lett., 20:5988-5993, 2010
PubMed: 20833547 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2010.08.091
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.263100.4%3.7%2.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 2xng
no rotation
Molmil generated image of 2xng
rotated about x axis by 90°
Molmil generated image of 2xng
rotated about y axis by 90°