4D31

Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3-cyanobenzyl) ethan-1-amine

Summary for 4D31

Related4D2Y 4D2Z 4D30 4D32 4D33 4D34 4D35 4D36 4D37 4D38 4D39 4D3A 4D3B 4V3U 4V3V 4V3W 4V3X 4V3Y 4V3Z
DescriptorNITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (7 entities in total)
Functional Keywordsoxidoreductase, nitric oxide synthase, inhibitor complex
Biological sourceRATTUS NORVEGICUS (NORWAY RAT)
Cellular locationCell membrane, sarcolemma ; Peripheral membrane protein  P29476
Total number of polymer chains2
Total molecular weight100132.72
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 (1.951 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.24140.2%3.2%10.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution