Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)phenethyl)-4-methylpyridin-2-amine

Summary for 6AUU

Related6AUR 6AUT 6AUQ 6AUS 6AUZ 6AV1 6AUY 6AV0 6AV2 6AV6 6AV7 6AUV 6AUW 6AUX 6AV3 6AV4 6AV5
DescriptorNitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (9 entities in total)
Functional Keywordsnitric oxide synthase inhibitor complex heme enzyme, oxidoreductase
Biological sourceRattus norvegicus (Rat)
Total number of polymer chains2
Total molecular weight100507.97
Li, H.,Poulos, T.L. (deposition date: 2017-09-01, release date: 2018-07-11, Last modification date: 2020-01-01)
Primary citation
Do, H.T.,Wang, H.Y.,Li, H.,Chreifi, G.,Poulos, T.L.,Silverman, R.B.
Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60:9360-9375, 2017
PubMed: 29091437 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.7b01356
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2355 0.1% 0.5% 2.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-21