4LWA

Structure of Bacillus subtilis nitric oxide synthase in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane

Summary for 4LWA

• Entry DOI: 10.2210/pdb4lwa/pdb
• Related: 4LUW 4LUX 4LWB
• Descriptor: Nitric oxide synthase oxygenase, PROTOPORPHYRIN IX CONTAINING FE, 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ... (6 entities in total)
• Functional Keywords: nitric oxide synthase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Bacillus subtilis subsp. subtilis
• Total number of polymer chains: 1
• Total formula weight: 43244.93

Authors

Holden, J.K.,Li, H.,Poulos, T.P. (deposition date: 2013-07-26, 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 (2.06 Å)