› 4b55

X-ray diffraction
2.7Å resolution

Crystal Structure of the Covalent Adduct Formed between Mycobacterium marinum Aryalamine N-acetyltransferase and Phenyl vinyl ketone a derivative of Piperidinols

Released:
DOI: 10.2210/pdb4b55/pdb
PDB entry 4b55 coloured by chain, front view.
PDB entry 4b55 coloured by chain, side view.
PDB entry 4b55 coloured by chain, top view.
Source organism: Mycobacterium marinum
Primary publication:
Piperidinols that show anti-tubercular activity as inhibitors of arylamine N-acetyltransferase: an essential enzyme for mycobacterial survival inside macrophages.
Abuhammad A, Fullam E, Lowe ED, Staunton D, Kawamura A, Westwood IM, Bhakta S, Garner AC, Wilson DL, Seden PT, Davies SG, Russell AJ, Garman EF, Sim E
PLoS One 7 e52790 (2012)
PMID: 23285185

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + an arylamine = CoA + an N-acetylarylamine
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-109571 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Arylamine N-acetyltransferase Nat Chain: A
Molecule details ›
Chain: A
Length: 283 amino acids
Theoretical weight: 30.95 KDa
Source organism: Mycobacterium marinum
Expression system: Escherichia coli
UniProt:
  • Canonical: B2HIZ6 (Residues: 1-280; Coverage: 100%)
Gene names: MMAR_5055, nat
Sequence domains: N-acetyltransferase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand P18 1 x P18
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P41212
Unit cell:
a: 51.84Å b: 51.84Å c: 176.75Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.233 0.231 0.29
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Arylamine N-acetyltransferases: from drug metabolism and pharmacogenetics to drug discovery.
Sim et al. (2014)
3 more

1 mention without citation

Piperidinols that show anti-tubercular activity as inhibitors of arylamine N-acetyltransferase: an essential enzyme for mycobacterial survival inside macrophages.
Abuhammad et al. (2012)