A combination of mutational and computational scanning guides the design of an artificial ligand-binding controlled lipase.

Kaschner M, Schillinger O, Fettweiss T, Nutschel C, Krause F, Fulton A, Strodel B, Stadler A, Jaeger KE, Krauss U
Sci Rep 7:42592 (2017 Feb 20)
PMID: 28218303
doi: 10.1038/srep42592 		Submitted to SASBDB: 2018 May 17
Published in SASBDB:

SASDDH7 – Citrate-binding PAS domain from the sensor histidine kinase, CitA, fused to lipase EstA in the presence of citrate

citrate-binding CitAP domain fused to lipase A of Bacillus subtilis BsLA experimental SAS data
GROMACS model
Sample: Citrate-binding CitAP domain fused to lipase A of Bacillus subtilis BsLA dimer, 77 kDa protein
Buffer: 10 mM glycine buffer, 10 mM NaCl, 1 mM sodium citrate, pH: 10
Experiment: SAXS data collected at BM29, ESRF on 2014 Feb 6
RgGuinier 3.3 nm
Dmax 11.7 nm

SASDDJ7 – Citrate-binding PAS domain from the sensor histidine kinase, CitA, fused to lipase EstA

citrate-binding CitAP domain fused to lipase A of Bacillus subtilis BsLA experimental SAS data
DAMMIF model
Sample: Citrate-binding CitAP domain fused to lipase A of Bacillus subtilis BsLA dimer, 77 kDa protein
Buffer: 10 mM glycine buffer, 10 mM NaCl, pH: 10
Experiment: SAXS data collected at BM29, ESRF on 2014 Feb 6
RgGuinier 3.3 nm
Dmax 11.8 nm