5G6F: Structure Of Bacillus Subtilis Nitric Oxide Synthase In Complex With 7-(((3-((dimethylamino)methyl)phenyl)amino) Methyl) Quinolin-2-amine

Citation:
Abstract
Nitric oxide is produced in Gram-positive pathogens Bacillus anthracis and Staphylococcus aureus by the bacterial isoform of nitric oxide synthase (NOS). Inhibition of bacterial nitric oxide synthase (bNOS) has been identified as a promising antibacterial strategy for targeting methicillin-resistant S. aureus [Holden, J. K., et al. (2015) Chem. Biol. 22, 785-779]. One class of NOS inhibitors that demonstrates antimicrobial efficacy utilizes an aminoquinoline scaffold. Here we report on a variety of aminoquinolines that target the bacterial NOS active site, in part, by binding to a hydrophobic patch that is unique to bNOS. Through mutagenesis and crystallographic studies, our findings demonstrate that aminoquinolines are an excellent scaffold for further aiding in the development of bNOS specific inhibitors.
PDB ID: 5G6FDownload
MMDB ID: 143256
PDB Deposition Date: 2016/6/18
Updated in MMDB: 2016/10
Experimental Method:
x-ray diffraction
Resolution: 2.26  Å
Source Organism:
Similar Structures:
Biological Unit for 5G6F: dimeric; determined by software (PISA)
Molecular Components in 5G6F
Label Count Molecule
Proteins (2 molecules)
2
Nitric Oxide Synthase Oxygenase(Gene symbol: nosA)
Molecule annotation
Chemicals (10 molecules)
1
2
2
2
3
2
4
2
5
2
* Click molecule labels to explore molecular sequence information.

Citing MMDB
.