› 7nmk

X-ray diffraction
1.2Å resolution

Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound methylation product 1-methoxyquinolin-4(1H)-one

Released:
DOI: 10.2210/pdb7nmk/pdb
PDB entry 7nmk coloured by chain, front view.
PDB entry 7nmk coloured by chain, side view.
PDB entry 7nmk coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
Sartor P, Denkhaus L, Gerhardt S, Einsle O, Fetzner S
J Struct Biol 213 107794 (2021)
PMID: 34506908

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + 2-heptyl-1-hydroxyquinolin-4(1H)-one = S-adenosyl-L-homocysteine + 2-heptyl-1-methoxyquinolin-4(1H)-one
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161755 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-heptyl-1-hydroxyquinolin-4(1H)-one methyltransferase Chain: A
Molecule details ›
Chain: A
Length: 245 amino acids
Theoretical weight: 26.42 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WKL5 (Residues: 18-241; Coverage: 93%)
Gene names: Rv0560c, htm
Sequence domains: Methyltransferase domain

Ligands and Environments

4 bound ligands:
Ligand SAH 1 x SAH
Ligand UJH 1 x UJH
Ligand NA 2 x NA
Ligand FMT 4 x FMT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P3121
Unit cell:
a: 69.866Å b: 69.866Å c: 95.644Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.17 0.169 0.187
Expression system: Escherichia coli BL21(DE3)

Quick links