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TitleLow potential enzymatic hydride transfer via highly cooperative and inversely functionalized flavin cofactors.
Journal, issue, pagesNat Commun, Vol. 10, Page 2074-2074, Year 2019
Publish dateJan 29, 2019 (structure data deposition date)
AuthorsWillistein, M. / Bechtel, D.F. / Muller, C.S. / Demmer, U. / Heimann, L. / Kayastha, K. / Schunemann, V. / Pierik, A.J. / Ullmann, G.M. / Ermler, U. / Boll, M.
External linksNat Commun / PubMed:31061390
MethodsX-ray diffraction
Resolution2.2 - 2.4 Å
Structure data

PDB-6qkg:
2-Naphthoyl-CoA Reductase(NCR)
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6qkr:
2-Naphthoyl-CoA Reductase-2-Naphthoyl-CoA complex(NCR-NCoA-soaked complex)
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6qkx:
2-Naphthoyl-CoA Reductase-DiHydroNaphthoyl-CoA complex(NCR-DHNCoA co-crystallized complex)
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-SF4:
IRON/SULFUR CLUSTER

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

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-HOH:
WATER

ChemComp-J5H:
~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate

Source
  • bacterium enrichment culture clone n47 (environmental samples)
KeywordsFLAVOPROTEIN / Reductase / 2-Naphthoyl-CoA / 2-Naphthoyl-CoA reductase / Naphthalene / FAD / FMN / 4Fe-4S / Hydride transfer / Monomer / [4Fe-4S] / Co-crystallized

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