5OT3

Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp117

Summary for 5OT3

DescriptorcAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ... (7 entities in total)
Functional Keywordscomplex, peptidic ligand, transferase
Biological sourceCricetulus griseus (Chinese hamster)
Total number of polymer chains2
Total molecular weight43911.99
Authors
Mueller, J.M.,Heine, A.,Klebe, G. (deposition date: 2017-08-19, release date: 2018-09-05, Last modification date: 2019-05-15)
Primary citation
Mueller, J.M.,Kirschner, R.,Geyer, A.,Klebe, G.
Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
DOI: 10.1021/acsomega.8b02364
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.04 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22810 0.8% 0.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution