Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp117

Summary for 5O5M

DescriptorcAMP-dependent protein kinase catalytic subunit alpha, RKp120, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ... (5 entities in total)
Functional Keywordscomplex, peptidic ligand, transferase
Biological sourceCricetulus griseus (Chinese hamster)
Total number of polymer chains2
Total molecular weight43600.66
Mueller, J.M.,Heine, A.,Klebe, G. (deposition date: 2017-06-02, release date: 2018-06-13, 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

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.18300 0.7% 1.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-09-16