4CAO

Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(2-(3-(3-Fluorophenyl(propylamino)ethyl))quinolin-2- amine

Summary for 4CAO

Related4CAM 4CAN 4CAP 4CAQ 4CAR 4CDT 4CFT
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 (By similarity) P29476
Total number of polymer chains2
Total molecular weight100170.83
Authors
Li, H.,Poulos, T.L. (deposition date: 2013-10-08, release date: 2014-02-19, Last modification date: 2014-03-12)
Primary citation
Cinelli, M.A.,Li, H.,Chreifi, G.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B.
Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition.
J.Med.Chem., 57:1513-, 2014
PubMed: 24472039 (PDB entries with the same primary citation)
DOI: 10.1021/JM401838X
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.98 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.24050.1%3.4%13.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution