› 6vuw

X-ray diffraction
2.87Å resolution

Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT368

Released:
DOI: 10.2210/pdb6vuw/pdb
PDB entry 6vuw coloured by chain, front view.
PDB entry 6vuw coloured by chain, side view.
PDB entry 6vuw coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis from Mycobacterium tuberculosis.
Punetha A, Ngo HX, Holbrook SYL, Green KD, Willby MJ, Bonnett SA, Krieger K, Dennis EK, Posey JE, Parish T, Tsodikov OV, Garneau-Tsodikova S
ACS Chem Biol 15 1581-1594 (2020)
PMID: 32421305

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

4 bound ligands:
Ligand RNM 1 x RNM
Ligand GOL 2 x GOL
Ligand SO4 3 x SO4
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: R32
Unit cell:
a: 174.996Å b: 174.996Å c: 123.716Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.171 0.168 0.227
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

How Mycobacterium tuberculosis drug resistance has shaped anti-tubercular drug discovery.
Bhagwat et al. (2022)
3 more

1 mention without citation

Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis from Mycobacterium tuberculosis.
Punetha et al. (2020)