4LUX

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine

Summary for 4LUX

• Entry DOI: 10.2210/pdb4lux/pdb
• Related: 4LUW 4LWA 4LWB
• Descriptor: Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (7 entities in total)
• Functional Keywords: nitric oxide synthase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Rattus norvegicus (brown rat)
• Cellular location: Cell membrane, sarcolemma ; Peripheral membrane protein : P29476
• Total number of polymer chains: 2
• Total formula weight: 100238.92

Authors

Li, H.,Poulos, T.L. (deposition date: 2013-07-25, release date: 2013-10-23, Last modification date: 2023-09-20)

Primary citation

Holden, J.K.,Li, H.,Jing, Q.,Kang, S.,Richo, J.,Silverman, R.B.,Poulos, T.L.
Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110:18127-18131, 2013

PubMed Abstract: Nitric oxide (NO) produced by bacterial NOS functions as a cytoprotective agent against oxidative stress in Staphylococcus aureus, Bacillus anthracis, and Bacillus subtilis. The screening of several NOS-selective inhibitors uncovered two inhibitors with potential antimicrobial properties. These two compounds impede the growth of B. subtilis under oxidative stress, and crystal structures show that each compound exhibits a unique binding mode. Both compounds serve as excellent leads for the future development of antimicrobials against bacterial NOS-containing bacteria.

PubMed: 24145412
DOI: 10.1073/pnas.1314080110

Experimental method

X-RAY DIFFRACTION (1.86 Å)