4UH3

Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5- fluorophenyl)-N1,N2-dimethylethane-1,2-diamine

Summary for 4UH3

Related4UGZ 4UH0 4UH1 4UH2 4UH4 4UH5 4UH6 4UH7 4UH8 4UH9 4UHA
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 weight100156.85
Authors
Li, H.,Poulos, T.L. (deposition date: 2015-03-23, release date: 2015-07-15, Last modification date: 2015-08-05)
Primary citation
Kang, S.,Li, H.,Tang, W.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B.
2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58:5548-, 2015
PubMed: 26120733 (PDB entries with the same primary citation)
DOI: 10.1021/ACS.JMEDCHEM.5B00573
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.03 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.23460.5%5.3%2.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution