3PNF

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2-chlorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine

Summary for 3PNF

Related3PNE 3PNH 3PNG
DescriptorNitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (7 entities in total)
Functional Keywordsheme enzyme, inhibitor, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
Biological sourceRattus norvegicus (brown rat,rat,rats)
Cellular locationCell membrane, sarcolemma ; Peripheral membrane protein  P29476
Total number of polymer chains2
Total molecular weight100373.85
Authors
Li, H.,Delker, S.,Poulos, T.L. (deposition date: 2010-11-18, release date: 2011-11-02, Last modification date: 2017-11-08)
Primary citation
Xue, F.,Kraus, J.M.,Labby, K.J.,Ji, H.,Mataka, J.,Xia, G.,Li, H.,Delker, S.L.,Roman, L.J.,Martasek, P.,Poulos, T.L.,Silverman, R.B.
Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase.
J.Med.Chem., 54:6399-6403, 2011
PubMed: 21809851 (PDB entries with the same primary citation)
DOI: 10.1021/jm200411j
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.94 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.227402.5%13.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report