Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine

Summary for 3JT9

Related3JT4 3JT5 3JT6 3JT7 3JT8 3JT3 3JTA
DescriptorNitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (7 entities in total)
Functional Keywordsnitric oxide synthase, heme-thiolate enzyme, substrate-analogue inhibitor, thioether heme ligand, alternative splicing, calmodulin-binding, cell membrane, cell projection, fad, fmn, heme, iron, membrane, metal-binding, nadp, oxidoreductase
Biological sourceRattus norvegicus
Total number of polymer chains2
Total molecular weight99990.68
Li, H.,Poulos, T.L. (deposition date: 2009-09-11, release date: 2010-01-12, Last modification date: 2019-07-24)
Primary citation
Martell, J.D.,Li, H.,Doukov, T.,Martasek, P.,Roman, L.J.,Soltis, M.,Poulos, T.L.,Silverman, R.B.
Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
J.Am.Chem.Soc., 132:798-806, 2010
PubMed: 20014790 (PDB entries with the same primary citation)
DOI: 10.1021/ja908544f
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23540 3.4% 7.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-28