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Structure paper

TitleIdentification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Journal, issue, pagesNat. Commun., Vol. 5, Page 4150-, Year 2014
Publish dateFeb 21, 2013 (structure data deposition date)
AuthorsSteinkellner, G. / Gruber, C.C. / Pavkov-Keller, T. / Binter, A. / Steiner, K. / Winkler, C. / Lyskowski, A. / Schwamberger, O. / Oberer, M. / Schwab, H. ...Steinkellner, G. / Gruber, C.C. / Pavkov-Keller, T. / Binter, A. / Steiner, K. / Winkler, C. / Lyskowski, A. / Schwamberger, O. / Oberer, M. / Schwab, H. / Faber, K. / Macheroux, P. / Gruber, K.
External linksNat. Commun. / PubMed:24954722
MethodsX-ray diffraction
Resolution1.65 - 2.15 Å
Structure data

PDB-3zoc:
Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound p-hydroxybenzaldehyde
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3zod:
Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound benzene-1,4-diol
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-3zoe:
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound p-hydroxybenzaldehyde
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-3zof:
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound benzene-1,4-diol
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-3zog:
Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound 1-Cyclohex-2-enone
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-3zoh:
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound 1-Cyclohex-2-enone
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-HBA:
P-HYDROXYBENZALDEHYDE

ChemComp-HOH:
WATER

ChemComp-HQE:
benzene-1,4-diol

ChemComp-A2Q:
cyclohex-2-en-1-one

Source
  • pyrococcus horikoshii (archaea)
  • thermus thermophilus (bacteria)
KeywordsFMN-BINDING PROTEIN / OXIDOREDUCTASE / ELECTRON TRANSPORT / CYCLOHEXENONE

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