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Structure paper

TitleFast fragment- and compound-screening pipeline at the Swiss Light Source.
Journal, issue, pagesActa Crystallogr D Struct Biol, Vol. 78, Page 328-336, Year 2022
Publish dateJan 17, 2022 (structure data deposition date)
AuthorsKaminski, J.W. / Vera, L. / Stegmann, D.P. / Vering, J. / Eris, D. / Smith, K.M.L. / Huang, C.Y. / Meier, N. / Steuber, J. / Wang, M. ...Kaminski, J.W. / Vera, L. / Stegmann, D.P. / Vering, J. / Eris, D. / Smith, K.M.L. / Huang, C.Y. / Meier, N. / Steuber, J. / Wang, M. / Fritz, G. / Wojdyla, J.A. / Sharpe, M.E.
External linksActa Crystallogr D Struct Biol / PubMed:35234147
MethodsX-ray diffraction
Resolution1.25 - 1.69 Å
Structure data

PDB-7qty:
X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-7qu0:
X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-7qu3:
X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7qu5:
X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-F0R:
1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-F2L:
~{N}-[2,6-bis(fluoranyl)phenyl]ethanamide

ChemComp-RYM:
4-(benzimidazol-1-ylmethyl)benzenecarbonitrile

ChemComp-MG:
Unknown entry

ChemComp-YVR:
gamma-Valerolactone

Source
  • klebsiella pneumoniae (bacteria)
  • pseudomonas aeruginosa (bacteria)
KeywordsFLAVOPROTEIN / NADH oxidizing

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