› 5nim

X-ray diffraction
1.5Å resolution

EthR complex

Released:
DOI: 10.2210/pdb5nim/pdb
PDB entry 5nim coloured by chain, front view.
PDB entry 5nim coloured by chain, side view.
PDB entry 5nim coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
New active leads for tuberculosis booster drugs by structure-based drug discovery.
Tatum NJ, Liebeschuetz JW, Cole JC, Frita R, Herledan A, Baulard AR, Willand N, Pohl E
Org Biomol Chem 15 10245-10255 (2017)
PMID: 29182187

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161781 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
HTH-type transcriptional regulator EthR Chain: A
Molecule details ›
Chain: A
Length: 216 amino acids
Theoretical weight: 23.78 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WMC1 (Residues: 1-216; Coverage: 100%)
Gene names: Rv3855, etaR, ethR
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 8YE 1 x 8YE
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P41212
Unit cell:
a: 122.544Å b: 122.544Å c: 33.815Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.175 0.204
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Drug Discovery for Mycobacterium tuberculosis Using Structure-Based Computer-Aided Drug Design Approach.
Ejalonibu et al. (2021)
1 more