› 3zxr

X-ray diffraction
2.15Å resolution

Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with tri-substituted imidazole inhibitor (3-(2-tert-butyl- 5-(pyridin-4-yl)-1H-imidazol-4-yl)quinoline) and L-methionine-S- sulfoximine phosphate.

Released:
DOI: 10.2210/pdb3zxr/pdb
PDB entry 3zxr coloured by chain, front view.
PDB entry 3zxr coloured by chain, side view.
PDB entry 3zxr coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Trisubstituted imidazoles as Mycobacterium tuberculosis glutamine synthetase inhibitors.
Gising J, Nilsson MT, Odell LR, Yahiaoui S, Lindh M, Iyer H, Sinha AM, Srinivasa BR, Larhed M, Mowbray SL, Karlén A
J Med Chem 55 2894-8 (2012)
PMID: 22369127

Function and Biology Details

Reaction catalysed: 
ATP + L-glutamate + NH(3) = ADP + phosphate + L-glutamine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dodecamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161830 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glutamine synthetase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 486 amino acids
Theoretical weight: 54.58 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WN39 (Residues: 2-478; Coverage: 100%)
Gene names: MTCY190.31, MTCY427.01, Rv2220, glnA, glnA1
Sequence domains:
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand IQ1 6 x IQ1
Ligand MG 18 x MG
Ligand P3S 6 x P3S
Ligand PO4 6 x PO4
Ligand CL 6 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: C2221
Unit cell:
a: 133.26Å b: 227.47Å c: 200.59Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.226 0.225 0.245
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Recent advancements in the development of anti-tuberculosis drugs.
Chetty et al. (2017)
8 more

3 mentions without citation

A structural overview of mycobacterial adhesins: Key biomarkers for diagnostics and therapeutics.
Squeglia et al. (2018)
2 more