6NGJ

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine

Summary for 6NGJ

DescriptorNitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (7 entities in total)
Functional Keywordsnitric oxide synthase inhibitor complex heme enzyme, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceRattus norvegicus (Rat)
Total number of polymer chains2
Total molecular weight100118.76
Authors
Li, H.,Poulos, T.L. (deposition date: 2018-12-21, release date: 2019-03-13)
Primary citation
Do, H.T.,Li, H.,Chreifi, G.,Poulos, T.L.,Silverman, R.B.
Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 2019
PubMed: 30802056 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.8b02032
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.756 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2204 0.1% 1.4% 16.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6ngj
no rotation
Molmil generated image of 6ngj
rotated about x axis by 90°
Molmil generated image of 6ngj
rotated about y axis by 90°