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

Summary for 4EUX

DescriptorNitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (7 entities in total)
Functional Keywordsnitric oxide synthase, inhibitor binding, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceRattus norvegicus (rat)
Cellular locationCell membrane, sarcolemma ; Peripheral membrane protein  P29476
Total number of polymer chains2
Total molecular weight100291.08
Li, H.,Poulos, T.L. (deposition date: 2012-04-25, release date: 2012-07-11, Last modification date: 2017-11-15)
Primary citation
Huang, H.,Ji, H.,Li, H.,Jing, Q.,Labby, K.J.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B.
Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134:11559-11572, 2012
PubMed: 22731813 (PDB entries with the same primary citation)
DOI: 10.1021/ja302269r
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2295 0.1% 3.6% 6.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-28