Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335

Summary for 6HWO

DescriptorcAMP-specific 3',5'-cyclic phosphodiesterase 4D, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... (9 entities in total)
Functional Keywordsphosphodiesterase, hydrolase, camp hydrolysis, alternative splicing
Biological sourceHomo sapiens (Human)
Total number of polymer chains4
Total molecular weight174297.7
Singh, A.K.,Brown, D.G. (deposition date: 2018-10-12, release date: 2019-07-24, Last modification date: 2019-09-04)
Primary citation
de Heuvel, E.,Singh, A.K.,Boronat, P.,Kooistra, A.J.,van der Meer, T.,Sadek, P.,Blaazer, A.R.,Shaner, N.C.,Bindels, D.S.,Caljon, G.,Maes, L.,Sterk, G.J.,Siderius, M.,Oberholzer, M.,de Esch, I.J.P.,Brown, D.G.,Leurs, R.
Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27:4013-4029, 2019
PubMed: 31378593 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2019.06.026
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2636 0.1% 2.4% 4.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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