Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor

Summary for 6KE0

Related6KDX 6KDZ
DescriptorcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM ION, ... (4 entities in total)
Functional Keywordsinhibitor, hydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight79753.69
Amano, Y.,Honbou, K. (deposition date: 2019-07-03, release date: 2019-08-14)
Primary citation
Chino, A.,Honda, S.,Morita, M.,Yonezawa, K.,Hamaguchi, W.,Amano, Y.,Moriguchi, H.,Yamazaki, M.,Aota, M.,Tomishima, M.,Masuda, N.
Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27:3692-3706, 2019
PubMed: 31301949 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2019.07.010
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.30013 0.3% 9.6% 7.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution