Wee1 kinase complex with inhibitor PD311839

Summary for 2IN6

DescriptorWee1-like protein kinase, 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID (3 entities in total)
Functional Keywordsprotein-inhibitor complex, transferase
Biological sourceHomo sapiens (human)
Cellular locationNucleus P30291
Total number of polymer chains1
Total molecular weight32769.22
Squire, C.J.,Dickson, J.M.,Ivanovic, I.,Baker, E.N. (deposition date: 2006-10-05, release date: 2007-09-18, Last modification date: 2011-07-13)
Primary citation
Smaill, J.B.,Baker, E.N.,Booth, R.J.,Bridges, A.J.,Dickson, J.M.,Dobrusin, E.M.,Ivanovic, I.,Kraker, A.J.,Lee, H.H.,Lunney, E.A.,Ortwine, D.F.,Palmer, B.D.,Quin, J.,Squire, C.J.,Thompson, A.M.,Denny, W.A.
Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43:1276-1296, 2008
PubMed: 17869387 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2007.07.016
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.293130.4%6.4%4.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report