Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes.

Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA, Angew Chem Int Ed Engl (2019) Europe PMC

SASDE54 – Tryparedoxin W39A, in the presence of inhibitor CFT (2-(chloromethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one)

Tryparedoxin W39A
MWexperimental 15 kDa
MWexpected 16 kDa
VPorod 26 nm3
log I(s) 8.25×100 8.25×10-1 8.25×10-2 8.25×10-3
Tryparedoxin W39A small angle scattering data  s, nm-1
ln I(s)
Tryparedoxin W39A Guinier plot ln 8.25×100 Rg: 1.6 nm 0 (1.6 nm)-2 s2
(sRg)2I(s)/I(0)
Tryparedoxin W39A Kratky plot 1.104 0 √3 sRg
p(r)
Tryparedoxin W39A pair distance distribution function Rg: 1.6 nm 0 Dmax: 5.8 nm

Data validation

Fits and models

log I(s)
 s, nm-1
Tryparedoxin W39A PDB (PROTEIN DATA BANK) model
Tryparedoxin W39A OTHER model
Synchrotron SAXS data from solutions of Tryparedoxin W39A, in the presence of CFT in 10 mM HEPES pH 7.5, 50 mM NaCl, pH 7.5 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Dectris Pilatus 1M detector at a sample-detector distance of 2.9 m and at a wavelength of λ = 0.099 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). The data were collected using in-line size exclusion chromatography (SEC)-SAXS at 20°C.

SEC column type: GE Healthcare S75 3.2/300; Sample Injection Concentration = 10 mg/mL; Column flow-rate = 0.1 mL/min.

Tryparedoxin W39A
Mol. type   Protein
Organism   Trypanosoma brucei brucei
Olig. state   Unknown
Mon. MW   15.7 kDa
 
UniProt   O77404 (2-144)
Sequence   FASTA
 
PDB ID   6GXY