› 3o8h

X-ray diffraction
1.9Å resolution

EthR from Mycobacterium tuberculosis in complex with compound BDM14950

Released:
DOI: 10.2210/pdb3o8h/pdb
PDB entry 3o8h coloured by chain, front view.
PDB entry 3o8h coloured by chain, side view.
PDB entry 3o8h coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Exploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulator.
Willand N, Desroses M, Toto P, Dirié B, Lens Z, Villeret V, Rucktooa P, Locht C, Baulard A, Deprez B
ACS Chem Biol 5 1007-13 (2010)
PMID: 20704273

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: 236 amino acids
Theoretical weight: 25.95 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

1 bound ligand:
Ligand O8H 1 x O8H
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR591
Spacegroup: P41212
Unit cell:
a: 121.3Å b: 121.3Å c: 33.56Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.194 0.251
Expression system: Escherichia coli

Quick links

Citations

7 review citations

The TetR family of regulators.
Cuthbertson et al. (2013)
6 more

4 mentions without citation

Molecular Design in Practice: A Review of Selected Projects in a French Research Institute That Illustrates the Link between Chemical Biology and Medicinal Chemistry.
Deprez et al. (2021)
3 more