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Structure paper

TitleStructural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 60, Page 14188-14194, Year 2021
Publish dateJan 28, 2021 (structure data deposition date)
AuthorsScherlach, K. / Kuttenlochner, W. / Scharf, D.H. / Brakhage, A.A. / Hertweck, C. / Groll, M. / Huber, E.M.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:33909314
MethodsX-ray diffraction
Resolution1.5 - 2.65 Å
Structure data

PDB-7nc1:
Glutathione-S-transferase GliG with partially disordered active site
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-7nc2:
Glutathione-S-transferase GliG (space group P3221)
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-7nc3:
Glutathione-S-transferase GliG (space group P212121)
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-7nc5:
Glutathione-S-transferase GliG in complex with reduced glutathione
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-7nc6:
Glutathione-S-transferase GliG in complex with cyclo[L-Phe-L-Ser]-bis-glutathione-adduct
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-7nc8:
Glutathione-S-transferase GliG mutant S24A
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-7nc9:
Glutathione-S-transferase GliG mutant H26N
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-7ncb:
Glutathione-S-transferase GliG mutant H26A
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-7ncd:
Glutathione-S-transferase GliG mutant N27D
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-7nce:
Glutathione-S-transferase GliG mutant N27A
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7ncl:
Glutathione-S-transferase GliG mutant E82Q
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7ncm:
Glutathione-S-transferase GliG mutant E82A
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-7ncn:
Glutathione-S-transferase GliG mutant S83A
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7nco:
Glutathione-S-transferase GliG mutant K127R
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-7ncp:
Glutathione-S-transferase GliG mutant K127A
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-7nct:
Glutathione-S-transferase GliG mutant K127G
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-7ncu:
Glutathione-S-transferase GliG mutant K127G in complex with oxidized glutathione
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-GSH:
GLUTATHIONE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-U8B:
(2~{S})-2-azanyl-5-[[(2~{R})-3-[(2~{R},5~{R})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-GDS:
OXIDIZED GLUTATHIONE DISULFIDE

Source
  • aspergillus fumigatus a1163 (mold)
  • neosartorya fumigata (strain cea10 / cbs 144.89 / fgsc a1163) (mold)
KeywordsBIOSYNTHETIC PROTEIN / Aspergillus fumigatus / mycotoxin / glutathione-S-transferase / carbon-sulphur-bond / epidithiodioxopiperazine

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