6NG2

Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)prop-1-yn-1-yl)-5-fluorophenethyl)-4-methylpyridin-2-amine

Summary for 6NG2

DescriptorNitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (6 entities in total)
Functional Keywordsnitric oxide synthase, inhibitor complex, heme enzyme, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight99972.66
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 (1.93 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21730 3.0% 1.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6ng2
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Molmil generated image of 6ng2
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Molmil generated image of 6ng2
rotated about y axis by 90°