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

SASDUR4 – Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain

Calcium/calmodulin-dependent protein kinase type II subunit alpha
MWexperimental 186 kDa
MWexpected 186 kDa
VPorod 351 nm3
log I(s) 1.14×10-1 1.14×10-2 1.14×10-3 1.14×10-4
Calcium/calmodulin-dependent protein kinase type II subunit alpha small angle scattering data  s, nm-1
ln I(s)
Calcium/calmodulin-dependent protein kinase type II subunit alpha Guinier plot ln 1.14×10-1 Rg: 4.4 nm 0 (4.4 nm)-2 s2
(sRg)2I(s)/I(0)
Calcium/calmodulin-dependent protein kinase type II subunit alpha Kratky plot 1.104 0 √3 sRg
p(r)
Calcium/calmodulin-dependent protein kinase type II subunit alpha pair distance distribution function Rg: 4.4 nm 0 Dmax: 14.9 nm

Data validation

Fits and models

log I(s)
 s, nm-1
Calcium/calmodulin-dependent protein kinase type II subunit alpha PDB (PROTEIN DATA BANK) model
SAXS data from solutions of calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain in 20 mM MES, 150 mM NaCl, 1 mM DTT, 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 4.60 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.

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
 
PDB ID   5IG3