› 7sf5

X-ray diffraction
2.52Å resolution

M. tb EgtD in complex with HD3

Released:
DOI: 10.2210/pdb7sf5/pdb
PDB entry 7sf5 coloured by chain, front view.
PDB entry 7sf5 coloured by chain, side view.
PDB entry 7sf5 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 Chains: A, B
Molecule details ›
Chains: A, B
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

1 bound ligand:
Ligand 95I 2 x 95I
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P212121
Unit cell:
a: 69.146Å b: 70.277Å c: 143.883Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.198 0.268
Expression system: Escherichia coli

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Citations

1 mention without citation

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