› 7sex

X-ray diffraction
2.2Å resolution

M. tb EgtD in complex with TGX221

Released:
DOI: 10.2210/pdb7sex/pdb
PDB entry 7sex coloured by chain, front view.
PDB entry 7sex coloured by chain, side view.
PDB entry 7sex coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sudasinghe TD, Banco MT, Ronning DR
Sci Rep 11 22240 (2021)
PMID: 34782676

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:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161833 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histidine N-alpha-methyltransferase Chain: A
Molecule details ›
Chain: A
Length: 321 amino acids
Theoretical weight: 35.31 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WN47 (Residues: 3-321; Coverage: 99%)
Gene names: Rv3701c, egtD
Sequence domains: Histidine-specific methyltransferase, SAM-dependent

Ligands and Environments

2 bound ligands:
Ligand 93I 1 x 93I
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P41212
Unit cell:
a: 69.019Å b: 69.019Å c: 140.922Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.181 0.23
Expression system: Escherichia coli

Quick links

Citations

1 mention without citation

Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sudasinghe et al. (2021)