› 5mxv

X-ray diffraction
1.63Å resolution

Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1107112A at 1.63A resolution

Released:
DOI: 10.2210/pdb5mxv/pdb
PDB 5mxv coloured by chain and viewed from the front.
PDB 5mxv coloured by chain and viewed from the side.
PDB 5mxv coloured by chain and viewed from the top.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Mugumbate G, Mendes V, Blaszczyk M, Sabbah M, Papadatos G, Lelievre J, Ballell L, Barros D, Abell C, Blundell TL, Overington JP
OpenAccess logo Front Pharmacol 8 681 (2017)
PMID: 29018348

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: 228 amino acids
Theoretical weight: 25.26 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WMC1 (Residues: 2-216; Coverage: 100%)
Gene names: Rv3855, etaR, ethR
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand K3T 1 x K3T
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P41212
Unit cell:
a: 121.23Å b: 121.23Å c: 33.842Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.17 0.192
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

Indole-3-Glycerol Phosphate Synthase From Mycobacterium tuberculosis: A Potential New Drug Target.
Esposito et al. (2022)
2 more