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Structure paper

TitleStructural basis of enzymatic benzene ring reduction.
Journal, issue, pagesNat. Chem. Biol., Vol. 11, Page 586-591, Year 2015
Publish dateApr 1, 2015 (structure data deposition date)
AuthorsWeinert, T. / Huwiler, S.G. / Kung, J.W. / Weidenweber, S. / Hellwig, P. / Stark, H.J. / Biskup, T. / Weber, S. / Cotelesage, J.J. / George, G.N. ...Weinert, T. / Huwiler, S.G. / Kung, J.W. / Weidenweber, S. / Hellwig, P. / Stark, H.J. / Biskup, T. / Weber, S. / Cotelesage, J.J. / George, G.N. / Ermler, U. / Boll, M.
External linksNat. Chem. Biol. / PubMed:26120796
MethodsX-ray diffraction
Resolution1.85 - 2.666 Å
Structure data

PDB-4z3w:
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1,5 Dienoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 2.208 Å

PDB-4z3x:
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1-Monoenoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-4z3y:
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Benzoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 2.359 Å

PDB-4z3z:
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Zinc
Method: X-RAY DIFFRACTION / Resolution: 2.666 Å

PDB-4z40:
Active site complex BamBC of Benzoyl Coenzyme A reductase as isolated
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

ChemComp-SF4:
IRON/SULFUR CLUSTER

ChemComp-MTE:
PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER

ChemComp-W:
Unknown entry

ChemComp-MG:
Unknown entry


ChemComp, No image

ChemComp-UNL:
Unknown ligand

ChemComp-4KX:
1,5 Dienoyl-CoA

ChemComp-HOH:
WATER

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-BYC:
benzoyl coenzyme A

ChemComp-ZN:
Unknown entry

ChemComp-UNX:
Unknown entry

Source
  • geobacter metallireducens gs-15 (bacteria)
KeywordsOXIDOREDUCTASE / aromatics / reductase / Benzoyl-CoA / anaerobic

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