Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-49

Summary for 6NJI

DescriptorcAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
Functional Keywordspde4d, camp-specific 3'5'-cyclic phosphodiesterase 4d, ucr2, camp, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight86075.2
Fox III, D.,Fairman, J.W.,Gurney, M.E. (deposition date: 2019-01-03, release date: 2019-05-08, Last modification date: 2019-12-18)
Primary citation
Gurney, M.E.,Nugent, R.A.,Mo, X.,Sindac, J.A.,Hagen, T.J.,Fox III, D.,O'Donnell, J.M.,Zhang, C.,Xu, Y.,Zhang, H.T.,Groppi, V.E.,Bailie, M.,White, R.E.,Romero, D.L.,Vellekoop, A.S.,Walker, J.R.,Surman, M.D.,Zhu, L.,Campbell, R.F.
Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62:4884-4901, 2019
PubMed: 31013090 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.9b00193
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2233 0.3% 1.3% 0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-09-23