› 4x8d

X-ray diffraction
1.98Å resolution

Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N-dimethyl-histidine and gamma-glutamyl-cysteine

Released:
DOI: 10.2210/pdb4x8d/pdb
PDB entry 4x8d coloured by chain, front view.
PDB entry 4x8d coloured by chain, side view.
PDB entry 4x8d coloured by chain, top view.
Source organism: Mycolicibacterium thermoresistibile ATCC 19527
Primary publication:
Structure of the sulfoxide synthase EgtB from the ergothioneine biosynthetic pathway.
Goncharenko KV, Vit A, Blankenfeldt W, Seebeck FP
Angew Chem Int Ed Engl 54 2821-4 (2015)
PMID: 25597398

Function and Biology Details

Reaction catalysed: 
Hercynine + gamma-L-glutamyl-L-cysteine + O(2) = gamma-L-glutamyl-S-hercyn-2-yl-L-cysteine S-oxide + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-124549 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Hercynine oxygenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 447 amino acids
Theoretical weight: 49.56 KDa
Source organism: Mycolicibacterium thermoresistibile ATCC 19527
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: G7CFI3 (Residues: 3-446; Coverage: 100%)
Gene names: KEK_08772, egtB
Sequence domains:

Ligands and Environments

7 bound ligands:
Ligand 3GC 2 x 3GC
Ligand AVI 2 x AVI
Ligand MN 2 x MN
Ligand GOL 1 x GOL
Ligand MG 7 x MG
Ligand CL 12 x CL
Ligand CA 2 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P43212
Unit cell:
a: 135.292Å b: 135.292Å c: 141.293Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.152 0.15 0.173
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

The biology of ergothioneine, an antioxidant nutraceutical.
Borodina et al. (2020)
10 more

4 mentions without citation

Go it alone: four-electron oxidations by mononuclear non-heme iron enzymes.
Peck et al. (2017)
3 more