› 5nim

X-ray diffraction
1.5Å resolution

EthR complex

Released:
DOI: 10.2210/pdb5nim/pdb
PDB 5nim coloured by chain and viewed from the front.
PDB 5nim coloured by chain and viewed from the side.
PDB 5nim coloured by chain and viewed from the top.
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)
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: Bacterial regulatory proteins, tetR family
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

5 citation in other articles

High throughput virtual screening reveals SARS-CoV-2 multi-target binding natural compounds to lead instant therapy for COVID-19 treatment.
Naik et al. (2020)
4 more