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Structure paper

TitlePolyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Journal, issue, pagesAdv Sci, Vol. 11, Page e2400184-e2400184, Year 2024
Publish dateAug 24, 2023 (structure data deposition date)
AuthorsSchmalhofer, M. / Vagstad, A.L. / Zhou, Q. / Bode, H.B. / Groll, M.
External linksAdv Sci / PubMed:38491909
MethodsX-ray diffraction
Resolution1.55 - 2.05 Å
Structure data

PDB-8qbh:
AntI in complex with 1-Naphthol
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-8qbi:
AntI in closed state
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-8qd1:
Ayg1p from A. fumigatus catalyzes polyketide shortening in the biosynthesis of DHN-melanin
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-8qd2:
Ayg1p in complex with 1,3-Dihydroxynaphthalene
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-8qd3:
Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-8qd4:
Ayg1p active site converted to tetrahedral sulfonate ester
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-8qd5:
AntI Ser245DHA (PSF)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-8qd6:
AntI Ser245DHA (PMSF)
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-8qd7:
Wdyg1p from W. dermatitidis catalyzes polyketide shortening in the biosynthesis of DHN-melanin
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-8qd8:
Wdyg1p in complex with 1,3-Dihydroxynaphthalene
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-8qd9:
Wdyg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-8qda:
Wdyg1p Ser256DHA (PMSF)
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-8qdb:
Wdyg1p Ser256DHA (PSF)
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-1NP:
1-NAPHTHOL

ChemComp-HOH:
WATER

ChemComp-ACT:
ACETATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM


ChemComp, No image

ChemComp-QPI:
Unknown entry


ChemComp, No image

ChemComp-QW8:
Unknown entry

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-FLV:
FLAVIOLIN

ChemComp-PMS:
phenylmethanesulfonic acid

ChemComp-NA:
Unknown entry

Source
  • photorhabdus laumondii subsp. laumondii tto1 (bacteria)
  • aspergillus fumigatus (mold)
  • exophiala dermatitidis (fungus)
KeywordsLYASE / Natural Product Biosynthesis / Polyketide Synthase System / alpha / beta-Hydrolase Fold / Polyketide Shortening / Retro Claisen Reaction

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