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Structure paper

TitleStructural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 117, Page 16324-16332, Year 2020
Publish dateAug 16, 2019 (structure data deposition date)
AuthorsChen, X. / Chen, J. / Yan, B. / Zhang, W. / Guddat, L.W. / Liu, X. / Rao, Z.
External linksProc. Natl. Acad. Sci. USA / PubMed:32601219
MethodsX-ray diffraction
Resolution1.604 - 2.8 Å
Structure data

PDB-6kpt:
Crystal Structure of Acyl-CoA Dehydrogenase FadE5 from Mycobacteria smegmatis
Method: X-RAY DIFFRACTION / Resolution: 1.963 Å

PDB-6kri:
Crystal Structure of Acyl-CoA Dehydrogenase FadE5 from Mycobacteria smegmatis with product released
Method: X-RAY DIFFRACTION / Resolution: 1.604 Å

PDB-6ks9:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis
Method: X-RAY DIFFRACTION / Resolution: 2.001 Å

PDB-6ksa:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C18CoA
Method: X-RAY DIFFRACTION / Resolution: 1.768 Å

PDB-6ksb:
Crystal Structure of E447A M130G Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C16CoA
Method: X-RAY DIFFRACTION / Resolution: 1.973 Å

PDB-6kse:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria tuberculosisin complex with C18CoA
Method: X-RAY DIFFRACTION / Resolution: 1.998 Å

PDB-6lpy:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C4CoA
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6lq0:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C6CoA
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6lq1:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C8CoA
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-6lq2:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C10CoA
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6lq3:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C12CoA
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-6lq4:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C14CoA
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-6lq5:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C16CoA
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6lq6:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C20CoA
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-6lq7:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C17CoA
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6lq8:
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C22CoA
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM / Flavin adenine dinucleotide

ChemComp-HOH:
WATER / Water

ChemComp-SO4:
SULFATE ION / Sulfate

ChemComp-ST9:
STEAROYL-COENZYME A / Stearoyl-CoA

ChemComp-MG:
Unknown entry

ChemComp-GOL:
GLYCEROL / Glycerol

ChemComp-PLM:
PALMITIC ACID / Palmitic acid

ChemComp-COA:
COENZYME A / Coenzyme A

ChemComp-BUA:
butanoic acid / Butyric acid

ChemComp-6NA:
HEXANOIC ACID / Caproic acid

ChemComp-OCA:
OCTANOIC ACID (CAPRYLIC ACID) / Caprylic acid

ChemComp-DKA:
DECANOIC ACID / Capric acid

ChemComp-DAO:
LAURIC ACID / Lauric acid

ChemComp-MYR:
MYRISTIC ACID / Myristic acid

ChemComp-DCR:
icosanoic acid / Arachidic acid

ChemComp-X90:
heptadecanoic acid / Margaric acid

ChemComp-EO3:
docosanoic acid / Behenic acid

Source
  • mycobacterium smegmatis (bacteria)
  • mycobacterium tuberculosis (bacteria)
KeywordsOXIDOREDUCTASE / Tuberculosis / beta-oxidation / ANTIBIOTIC / dehydrogenase / FadE5

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