› 6fnt

X-ray diffraction
1.9Å resolution

Ergothioneine-biosynthetic methyltransferase EgtD in complex with pyrrolidinohistidine

Released:
DOI: 10.2210/pdb6fnt/pdb
PDB entry 6fnt coloured by chain, front view.
PDB entry 6fnt coloured by chain, side view.
PDB entry 6fnt coloured by chain, top view.
Source organism: Mycolicibacterium smegmatis
Primary publication:
Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
Misson L, Burn R, Vit A, Hildesheim J, Beliaeva MA, Blankenfeldt W, Seebeck FP
ACS Chem Biol 13 1333-1342 (2018)
PMID: 29658702

Function and Biology Details

Reaction catalysed: 
(1a) S-adenosyl-L-methionine + L-histidine = S-adenosyl-L-homocysteine + N(alpha)-methyl-L-histidine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-106468 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histidine N-alpha-methyltransferase Chains: A, B
Molecule details ›
Chains: A, B
Length: 323 amino acids
Theoretical weight: 35.28 KDa
Source organism: Mycolicibacterium smegmatis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0R5M8 (Residues: 3-321; Coverage: 99%)
Gene names: MSMEG_6247, MSMEI_6086, egtD
Sequence domains: Histidine-specific methyltransferase, SAM-dependent
Structure domains: Vaccinia Virus protein VP39

Ligands and Environments

1 bound ligand:
Ligand AVO 2 x AVO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P212121
Unit cell:
a: 71.768Å b: 77.535Å c: 139.045Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.17 0.207
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

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