Structure of h-CHK1 complexed with A780125

Summary for 2E9U

Related2AYP 2FGA 2GHG 2E9N 2E9O 2E9P 2E9V
DescriptorSerine/threonine-protein kinase Chk1, 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE (3 entities in total)
Functional Keywordsprotein-inhibitor complex, transferase
Biological sourceHomo sapiens (human)
Cellular locationNucleus O14757
Total number of polymer chains1
Total molecular weight31417.53
Park, C. (deposition date: 2007-01-27, release date: 2008-01-29, Last modification date: 2011-07-13)
Primary citation
Tong, Y.,Claiborne, A.,Stewart, K.D.,Park, C.,Kovar, P.,Chen, Z.,Credo, R.B.,Gwaltney, S.L.,Zhang, H.,Rosenberg, S.H.,Sham, H.L.,Sowin, T.J.,Lin, N.H.
Structure-Based Design, Synthesis and Biological Evaluation of Potent Selective Macrocyclic Chk1 Inhibitors
To be Published,
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliers213.0%4.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution