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Structure paper

TitleOxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 119, Year 2022
Publish dateDec 18, 2020 (structure data deposition date)
AuthorsSharma, M. / Lingford, J.P. / Petricevic, M. / Snow, A.J.D. / Zhang, Y. / Jarva, M.A. / Mui, J.W. / Scott, N.E. / Saunders, E.C. / Mao, R. ...Sharma, M. / Lingford, J.P. / Petricevic, M. / Snow, A.J.D. / Zhang, Y. / Jarva, M.A. / Mui, J.W. / Scott, N.E. / Saunders, E.C. / Mao, R. / Epa, R. / da Silva, B.M. / Pires, D.E.V. / Ascher, D.B. / McConville, M.J. / Davies, G.J. / Williams, S.J. / Goddard-Borger, E.D.
External linksProc. Natl. Acad. Sci. USA / PubMed:35074914
MethodsX-ray diffraction
Resolution1.35 - 3.4 Å
Structure data

PDB-7bby:
Crystal structure of aldo-keto reductase with C-terminal His tag from Agrobacterium tumefaciens
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-7bbz:
Crystal structure of apo aldo-keto reductase from Agrobacterium tumefaciens
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-7bc0:
Crystal structure of aldo-keto reductase from Agrobacterium tumefaciens in a binary complex with NADPH
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-7bc1:
Crystal structure of aldo-keto reductase from Agrobacterium tumefaciens in a ternary complex with NADPH and glucose
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7nbz:
Crystal structure of ligand free open conformation of sulfoquinovosyl binding protein (SQBP) from Agrobacterium tumefaciens
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-7ofx:
Crystal structure of a GH31 family sulfoquinovosidase mutant D455N from Agrobacterium tumefaciens in complex with sulfoquinovosyl glycerol (SQGro)
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-7ofy:
Crystal structure of SQ binding protein from Agrobacterium tumefaciens in complex with sulfoquinovosyl glycerol (SQGro)
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-7oh2:
Crystal structure of FMNH2-dependent monooxygenase for oxidative desulfurization of sulfoquinovose
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7olf:
Crystal structure of FMNH2-dependent monooxygenase from Agrobacterium tumefaciens for oxidative desulfurization of sulfoquinovose
Method: X-RAY DIFFRACTION / Resolution: 3.4 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-GLC:
alpha-D-glucopyranose

ChemComp-ACT:
ACETATE ION

ChemComp-VCW:
[(2S,3S,4S,5R,6S)-6-[(2R)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • agrobacterium fabrum (strain c58 / atcc 33970) (bacteria)
  • rhizobium radiobacter (bacteria)
  • rhizobium oryzae (bacteria)
KeywordsOXIDOREDUCTASE / Aldo-keto reductase / histidine / sulfoquinovose / trimeric / apo / NADPH / glucose / SUGAR BINDING PROTEIN / binding protein / HYDROLASE / SQGro / sulfoquinovosyl glycerol / SQDG / sulfoglycolysis / sulfo-EMP / sulfoquinovosyl diglyceride / sulfoquinovose glycerol / Flavin-dependent / monooxygenase / native / falvin-dependent

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