› 7nc6

X-ray diffraction
2.1Å resolution

Glutathione-S-transferase GliG in complex with cyclo[L-Phe-L-Ser]-bis-glutathione-adduct

Released:
DOI: 10.2210/pdb7nc6/pdb
PDB entry 7nc6 coloured by chain, front view.
PDB entry 7nc6 coloured by chain, side view.
PDB entry 7nc6 coloured by chain, top view.
Source organism: Aspergillus fumigatus A1163
Primary publication:
Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Scherlach K, Kuttenlochner W, Scharf DH, Brakhage AA, Hertweck C, Groll M, Huber EM
Angew Chem Int Ed Engl 60 14188-14194 (2021)
PMID: 33909314

Function and Biology Details

Reaction catalysed: 
RX + glutathione = HX + R-S-glutathione
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-109271 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
glutathione transferase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 253 amino acids
Theoretical weight: 28.96 KDa
Source organism: Aspergillus fumigatus A1163
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: B0Y813 (Residues: 1-240; Coverage: 100%)
Gene name: AFUB_075740
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand U8B 6 x U8B
Ligand EDO 3 x EDO
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 53.37Å b: 85.3Å c: 344.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.183 0.238
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Epipolythiodioxopiperazine-Based Natural Products: Building Blocks, Biosynthesis and Biological Activities.
Huber EM. (2022)
2 other articles