17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with Salicylic acid

X-ray Crystallographic Fragment screening and Hit Optimization

17-beta-HSD 14,17-beta-hydroxysteroid dehydrogenase DHRS10,Dehydrogenase/reductase SDR family member 10,Retinal short-chain dehydrogenase/reductase retSDR3,Short chain dehydrogenase/reductase family 47C member 1

GHMATGTRYAGKVVVVTGGGRGIGAGIVRAFVNSGARVVICDKDESGGRALEQELPGAVFILCDVTQEDDVKTLVSETIR
RFGRLDCVVNNAGHHPPPQRPEETSAQGFRQLLELNLLGTYTLTKLALPYLRKSQGNVINISSLVGAIGQAQAVPYVATK
GAVTAMTKALALDESPYGVRVNCISPGNIWTPLWEELAALMPDPRATIREGMLAQPLGRMGQPAEVGAAAVFLASEANFC
TGIELLVTGGAELGYGCKASRSTPVDAPDIPSGS

HSD17B14, DHRS10, SDR3, SDR47C1, UNQ502/PRO474

HEPES 0.1 M pH 7.00, sodium formate 3.3 M

native mass spectrometry show the mass of a tetramer

fragments, soaking, 17b-HSD14, OXIDOREDUCTASE

MATGTRYAGKVVVVTGGGRGIGAGIVRAFVNSGARVVICDKDESGGRALEQELPGAVFILCDVTQEDDVKTLVSETIRRF
GRLDCVVNNAGHHPPPQRPEETSAQGFRQLLELNLLGTYTLTKLALPYLRKSQGNVINISSLVGAIGQAQAVPYVATKGA
VTAMTKALALDESPYGVRVNCISPGNIWTPLWEELAALMPDPRATIREGMLAQPLGRMGQPAEVGAAAVFLASEANFCTG
IELLVTGGAELGYGCKASRSTPVDAPDIPS