Ligand‐induced CaMKIIα hub Trp403 flip, hub domain stacking, and modulation of kinase activity

Narayanan D, Larsen A, Gauger S, Adafia R, Hammershøi R, Hamborg L, Bruus‐Jensen J, Griem‐Krey N, Gee C, Frølund B, Stratton M, Kuriyan J, Kastrup J, Langkilde A, Wellendorph P, Solbak S, Protein Science 33(10) (2024) DOI

SASDUY4 – Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain with HOCPCA

Calcium/calmodulin-dependent protein kinase type II subunit alpha
3-hydroxycyclopent-1-enecarboxylic acid
MWexperimental 170 kDa
MWexpected 186 kDa
VPorod 310 nm3
log I(s) 1.07×10-1 1.07×10-2 1.07×10-3 1.07×10-4
Calcium/calmodulin-dependent protein kinase type II subunit alpha 3-hydroxycyclopent-1-enecarboxylic acid small angle scattering data  s, nm-1
ln I(s)
Calcium/calmodulin-dependent protein kinase type II subunit alpha 3-hydroxycyclopent-1-enecarboxylic acid Guinier plot ln 1.08×10-1 Rg: 4.1 nm 0 (4.1 nm)-2 s2
(sRg)2I(s)/I(0)
Calcium/calmodulin-dependent protein kinase type II subunit alpha 3-hydroxycyclopent-1-enecarboxylic acid Kratky plot 1.104 0 3 sRg
Dmax: 12.7 nm

Data validation


There are no models related to this curve.

SAXS data from solutions of calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain with HOCPCA in 20 mM MES, 150 mM NaCl, 1 mM DTT, 1 mM HOCPCA, pH 6 were collected using a Xenocs BioXolver L with MetalJet (University of Copenhagen, Department of Drug Design and Pharmacology) equipped with a Pilatus3 R 300K detector at a sample-detector distance of 1.0 m and at a wavelength of λ = 0.13428 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 2.90 mg/ml was measured at 25°C. 10 successive 60 second frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted.

The data is a merge from data collected at three different configurations. In addition to the listed, data was collected on the same sample with sample-detector distance 0.610 m (10 frames of 60 s exposure) and with sample-detector distance of 1.4355 m (10 frames of 120 sec exposure). The resulting data is a merge of the data from the three configurations. These data were collected for comparison with the CaMKIIa WT hub without ligand. HOCPCA: https://pubchem.ncbi.nlm.nih.gov/compound/3-Hydroxycyclopent-1-ene-1-carboxylic-acid

Calcium/calmodulin-dependent protein kinase type II subunit alpha (CaMKIIα WT hub)
Mol. type   Protein
Organism   Homo sapiens
Olig. state   Dodecamer
Mon. MW   15.5 kDa
 
UniProt   Q9UQM7 (345-475)
Sequence   FASTA
 
3-hydroxycyclopent-1-enecarboxylic acid (HOCPCA)
Mol. type   Other
Olig. state   Monomer
Mon. MW   0.1 kDa
Chemical formula