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Structure paper

TitleStructural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase.
Journal, issue, pagesAcs Chem. Biol., Vol. 13, Page 3259-3268, Year 2018
Publish dateSep 7, 2017 (structure data deposition date)
AuthorsRamirez-Escudero, M. / Molina-Espeja, P. / Gomez de Santos, P. / Hofrichter, M. / Sanz-Aparicio, J. / Alcalde, M.
External linksAcs Chem. Biol. / PubMed:30376293
MethodsX-ray diffraction
Resolution1.08 - 1.65 Å
Structure data

PDB-5oxt:
DIRECT-EVOLUTIONED UNSPECIFIC PEROXYGENASE FROM AGROCYBE AEGERITA, IN COMPLEX WITH ACETATE
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-5oxu:
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

PDB-5oy1:
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with DMSO
Method: X-RAY DIFFRACTION / Resolution: 1.43 Å

PDB-5oy2:
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with DMP
Method: X-RAY DIFFRACTION / Resolution: 1.36 Å

PDB-6ekw:
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with naphthalene
Method: X-RAY DIFFRACTION / Resolution: 1.43 Å

PDB-6ekx:
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with 1-naphthol (I)
Method: X-RAY DIFFRACTION / Resolution: 1.13 Å

PDB-6eky:
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with 1-naphthol (II)
Method: X-RAY DIFFRACTION / Resolution: 1.23 Å

PDB-6ekz:
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with propranolol
Method: X-RAY DIFFRACTION / Resolution: 1.08 Å

PDB-6el0:
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with styrene
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-6el4:
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with veratryl alcohol
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE / Heme B

ChemComp-MG:
Unknown entry

ChemComp-CL:
Unknown entry / Chloride

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose / N-Acetylglucosamine

ChemComp-ACT:
ACETATE ION / Acetate

ChemComp-HOH:
WATER / Water

ChemComp-PO4:
PHOSPHATE ION / Phosphate

ChemComp-GOL:
GLYCEROL / Glycerol

ChemComp-MOH:
METHANOL / Methanol

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM / Dimethyl sulfoxide

ChemComp-3DM:
2,6-dimethoxyphenol / Syringol

ChemComp-NPY:
NAPHTHALENE / Naphthalene

ChemComp-1NP:
1-NAPHTHOL / 1-Naphthol

ChemComp-SNP:
1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL

ChemComp-SYN:
ethenylbenzene / Styrene

ChemComp-VOH:
Veratryl alcohol / Veratrole alcohol

Source
  • agrocybe aegerita (fungus)
KeywordsOXIDOREDUCTASE / directed evolution / PaDaI / unspecific peroxygenase / UPO / heme-thiolate peroxidase / Agrocybe aegerita / acetate / DMSO / Dimethylsulfoxide / DMP / 2 / 6-dimethoxyphenol / Naphthalene / 1-naphthol / 1-Naphthalenol / propranolol / styrene / Ethenylbenzene / veratryl alcohol / 3 / 4-Dimethoxybenzyl alcohol

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