› 8f4z

X-ray diffraction
2.1Å resolution

Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chloroquine

Released:
DOI: 10.2210/pdb8f4z/pdb
PDB entry 8f4z coloured by chain, front view.
PDB entry 8f4z coloured by chain, side view.
PDB entry 8f4z coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Pang AH, Green KD, Punetha A, Thamban Chandrika N, Howard KC, Garneau-Tsodikova S, Tsodikov OV
Biochemistry (2023)
PMID: 36657084

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: 1-402; Coverage: 100%)
Gene names: MTCY253.04, Rv2416c, eis
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand CLQ 1 x CLQ
Ligand GOL 2 x GOL
Ligand PEG 4 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: R32
Unit cell:
a: 174.959Å b: 174.959Å c: 124.489Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.168 0.166 0.202
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Restoring susceptibility to aminoglycosides: identifying small molecule inhibitors of enzymatic inactivation.
Magaña et al. (2023)