6NJJ

Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770

Summary for 6NJJ

DescriptorcAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ... (8 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 chains4
Total molecular weight173349.87
Authors
Fox III, D.,Fairman, J.W.,Gurney, M.E. (deposition date: 2019-01-03, release date: 2019-05-08, Last modification date: 2019-06-05)
Primary citation
Gurney, M.E.,Nugent, R.A.,Mo, X.,Sindac, J.A.,Hagen, T.J.,Fox 3rd, 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
X-RAY DIFFRACTION (2.3 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22020 0.3% 0.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution