Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((furan-2-ylmethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine

Summary for 3TYO

Related3TYL 3TYM 3TYN
DescriptorNitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (7 entities in total)
Functional Keywordsoxidoreductase, nitric oxide synthase, inhibitor binding, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceRattus norvegicus (brown rat,rat,rats)
Cellular locationCell membrane, sarcolemma ; Peripheral membrane protein  P29476
Total number of polymer chains2
Total molecular weight100184.87
Li, H.,Poulos, T.L. (deposition date: 2011-09-26, release date: 2012-03-14, Last modification date: 2017-11-08)
Primary citation
Labby, K.J.,Xue, F.,Kraus, J.M.,Ji, H.,Mataka, J.,Li, H.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B.
Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20:2435-2443, 2012
PubMed: 22370337 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2012.01.037
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22530 2.7% 12.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-14