4D33

Structure of bovine endothelial nitric oxide synthase heme domain in complex with (N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3- fluorophenethyl)ethane-1,2-diamine

Summary for 4D33

Related4D2Y 4D2Z 4D30 4D31 4D32 4D34 4D35 4D36 4D37 4D38 4D39 4D3A 4D3B 4V3U 4V3V 4V3W 4V3X 4V3Y 4V3Z
DescriptorNITRIC OXIDE SYNTHASE, ENDOTHELIAL, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (10 entities in total)
Functional Keywordsoxidoreductase, nitric oxide synthase, inhibitor complex
Biological sourceBOS TAURUS (CATTLE)
Cellular locationCell membrane  P29473
Total number of polymer chains2
Total molecular weight102424.43
Authors
Li, H.,Poulos, T.L. (deposition date: 2014-10-20, release date: 2014-12-24, Last modification date: 2015-03-04)
Primary citation
Mukherjee, P.,Li, H.,Sevrioukova, I.,Chreifi, G.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B.
Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58:1067-, 2015
PubMed: 25489882 (PDB entries with the same primary citation)
DOI: 10.1021/JM501719E
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.087 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.20960.2%4.9%5.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution