PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000693a

PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)

Peroxisomal coenzyme A diphosphatase NUDT7

Nucleoside diphosphate-linked moiety X motif 7,Nudix motif 7

SMLDDAKARLRKYDIGGKYSHLPYNKYSVLLPLVAKEGKLHLLFTVRSEKLRRAPGEVCFPGGKRDPTDMDDAATALREA
QEEVGLR(HYP)HQVEVV(CSO)CLVPCLIDTDTLITPFVGLIDHNFQAQPNPAEVKDVFLVPLAYFLHPQVHDQHYVTR
LGHRFINHIFEYTNPEDGVTYQIKGMTANLAVLVAFIILEKKPT

SMLDDAKARLRKYDIGGKYSHLPYNKYSVLLPLVAKEGKLHLLFTVRSEKLRRAPGEVCFPGGKRDPTDMDDAATALREA
QEEVGLRPHQVEVVCCLVPCLIDTDTLITPFVGLIDHNFQAQPNPAEVKDVFLVPLAYFLHPQVHDQHYVTRLGHRFINH
IFEYTNPEDGVTYQIKGMTANLAVLVAFIILEKKPT

0.1M bis-tris pH 5.5 -- 0.1M ammonium acetate -- 5%(w/v) PEG10K

human NUDT7 screened against the 3D-Fragment Consortium Library by X-ray Crystallography at the XChem facility of Diamond Light Source beamline I04-1

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY

PanDDA, SGC - Diamond I04-1 fragment screening, NUDIX domain, XChemExplorer, HYDROLASE

SLLDDAKARLRKYDIGGKYSHLPYNKYSVLLPLVAKEGKLHLLFTVRSEKLRRAPGEVCFPGGKRDPTDMDDAATALREA
QEEVGLRPHQVEVVCCLVPCLIDTDTLITPFVGLIDHNFQAQPNPAEVKDVFLVPLAYFLHPQVHDQHYVTRLGHRFINH
IFEYTNPEDGVTYQIKGMTANLAVLVAFIILEKKPT