Wee1 kinase complex with inhibitor PD352396

Summary for 3BI6

Related2in6 2io6 1x8b 2z2w
DescriptorWee1-like protein kinase, CHLORIDE ION, 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide, ... (4 entities in total)
Functional Keywordskinase domain, inhibitor complex, atp-binding, cell cycle, cell division, magnesium, metal-binding, mitosis, nucleotide-binding, nucleus, phosphoprotein, transferase, tyrosine-protein kinase, ubl conjugation
Biological sourceHomo sapiens (human)
Cellular locationNucleus P30291
Total number of polymer chains1
Total molecular weight32849.2
Squire, C.J.,Dickson, J.M.,Ivanovic, I.,Baker, E.N. (deposition date: 2007-11-29, release date: 2007-12-18, Last modification date: 2017-10-25)
Primary citation
Smaill, J.B.,Lee, H.H.,Palmer, B.D.,Thompson, A.M.,Squire, C.J.,Baker, E.N.,Booth, R.J.,Kraker, A.,Hook, K.,Denny, W.A.
Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases.
Bioorg.Med.Chem.Lett., 18:929-933, 2008
PubMed: 18191399 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2007.12.046
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2484 0.4% 2.3% 6.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-28