Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor

Summary for 5VHB

Related5VIB 5VI9
DescriptorcAMP-dependent protein kinase catalytic subunit alpha, PKI peptide, N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide, ... (4 entities in total)
Functional Keywordskinase, transferase
Biological sourceBos taurus (Bovine)
Cellular locationCytoplasm  P00517
Total number of polymer chains2
Total molecular weight43223.16
Judge, R.A. (deposition date: 2017-04-12, release date: 2018-01-31, Last modification date: 2018-04-04)
Primary citation
Judge, R.A.,Vasudevan, A.,Scott, V.E.,Simler, G.H.,Pratt, S.D.,Namovic, M.T.,Putman, C.B.,Aguirre, A.,Stoll, V.S.,Mamo, M.,Swann, S.I.,Cassar, S.C.,Faltynek, C.R.,Kage, K.L.,Boyce-Rustay, J.M.,Hobson, A.D.
Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19:613-621, 2018
PubMed: 29314498 (PDB entries with the same primary citation)
DOI: 10.1002/cbic.201700547
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.207100.7%2.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5vhb
no rotation
Molmil generated image of 5vhb
rotated about x axis by 90°
Molmil generated image of 5vhb
rotated about y axis by 90°