3ZXR: 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

Citation:
Abstract
Mycobacterium tuberculosis glutamine synthetase (MtGS) is a promising target for antituberculosis drug discovery. In a recent high-throughput screening study we identified several classes of MtGS inhibitors targeting the ATP-binding site. We now explore one of these classes, the 2-tert-butyl-4,5-diarylimidazoles, and present the design, synthesis, and X-ray crystallographic studies leading to the identification of MtGS inhibitors with submicromolar IC(50) values and promising antituberculosis MIC values.
PDB ID: 3ZXRDownload
MMDB ID: 98552
PDB Deposition Date: 2011/8/15
Updated in MMDB: 2012/04
Experimental Method:
x-ray diffraction
Resolution: 2.15  Å
Source Organism:
Similar Structures:
Biological Unit for 3ZXR: dodecameric; determined by author and by software (PISA)
Molecular Components in 3ZXR
Label Count Molecule
Proteins (12 molecules)
12
Glutamine Synthetase 1
Molecule annotation
Chemicals (84 molecules)
1
12
2
36
3
12
4
12
5
12
* Click molecule labels to explore molecular sequence information.

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