› 5tvj

X-ray diffraction
2.3Å resolution

Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with CoA and inhibitor 2k*: 1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium

Released:
DOI: 10.2210/pdb5tvj/pdb
PDB entry 5tvj coloured by chain, front view.
PDB entry 5tvj coloured by chain, side view.
PDB entry 5tvj coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Combating Enhanced Intracellular Survival (Eis)-Mediated Kanamycin Resistance of Mycobacterium tuberculosis by Novel Pyrrolo[1,5-a]pyrazine-Based Eis Inhibitors.
Garzan A, Willby MJ, Ngo HX, Gajadeera CS, Green KD, Holbrook SY, Hou C, Posey JE, Tsodikov OV, Garneau-Tsodikova S
ACS Infect Dis 3 302-309 (2017)
PMID: 28192916

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161420 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
N-acetyltransferase Eis Chain: A
Molecule details ›
Chain: A
Length: 422 amino acids
Theoretical weight: 46 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WFK7 (Residues: 2-402; Coverage: 100%)
Gene names: MTCY253.04, Rv2416c, eis
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand COA 1 x COA
Ligand 7LF 1 x 7LF
Ligand GOL 1 x GOL
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: R32
Unit cell:
a: 175.106Å b: 175.106Å c: 122.94Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.193 0.192 0.224
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

The Role of Antibiotic-Target-Modifying and Antibiotic-Modifying Enzymes in Mycobacterium abscessus Drug Resistance.
Luthra et al. (2018)
5 more

2 mentions without citation

Combating Enhanced Intracellular Survival (Eis)-Mediated Kanamycin Resistance of Mycobacterium tuberculosis by Novel Pyrrolo[1,5-a]pyrazine-Based Eis Inhibitors.
Garzan et al. (2017)
1 more