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TitleSelectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Journal, issue, pagesBiochemistry, Vol. 55, Page 2992-, Year 2016
Publish dateApr 29, 2013 (structure data deposition date)
AuthorsNeckles, C. / Pschibul, A. / Lai, C.T. / Hirschbeck, M. / Kuper, J. / Davoodi, S. / Zou, J. / Liu, N. / Pan, P. / Shah, S. ...Neckles, C. / Pschibul, A. / Lai, C.T. / Hirschbeck, M. / Kuper, J. / Davoodi, S. / Zou, J. / Liu, N. / Pan, P. / Shah, S. / Daryaee, F. / Bommineni, G.R. / Lai, C. / Simmerling, C. / Kisker, C. / Tonge, P.J.
External linksBiochemistry / PubMed:27136302
MethodsX-ray diffraction
Resolution1.798 - 2.3 Å
Structure data

PDB-4bkq:
Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4bkr:
Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH
Method: X-RAY DIFFRACTION / Resolution: 1.798 Å

PDB-5g2o:
Yersinia pestis FabV variant T276A
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5jai:
Yersinia pestis FabV variant T276G
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5jam:
Yersinia pestis FabV variant T276V
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5jaq:
Yersinia pestis FabV variant T276C
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-NAI:
1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

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

ChemComp-NA:
Unknown entry

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

Source
  • yersinia pestis (bacteria)
KeywordsOXIDOREDUCTASE / FATTY ACID BIOSYNTHESIS / ENOYL-ACP REDUCTASE / fatty acid biosynthesis FabV

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