6I2B

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and RKp117

Summary for 6I2B

DescriptorcAMP-dependent protein kinase catalytic subunit alpha, UPF0418 protein FAM164A, [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 weight44106.59
Authors
Mueller, J.M.,Heine, A.,Klebe, G. (deposition date: 2018-11-01, release 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 (1.97 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24910 1.6% 0.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution