4KCI

Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-(ethane-1,2-diylbis(3,1-phenylene))bis(thiophene-2-carboximidamide)

Summary for 4KCI

Related4KCH 4KCJ 4KCK 4KCL 4KCM 4KCN 4KCO 4KCP 4KCQ 4KCR 4KCS
DescriptorNitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (7 entities in total)
Functional Keywordsnitric oxide synthase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceRattus norvegicus (rat)
Cellular locationCell membrane, sarcolemma ; Peripheral membrane protein  P29476
Total number of polymer chains2
Total molecular weight100385.2
Authors
Li, H.,Poulos, T.L. (deposition date: 2013-04-24, release date: 2014-02-12, Last modification date: 2017-11-15)
Primary citation
Huang, H.,Li, H.,Yang, S.,Chreifi, G.,Martasek, P.,Roman, L.J.,Meyskens, F.L.,Poulos, T.L.,Silverman, R.B.
Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57:686-700, 2014
PubMed: 24447275 (PDB entries with the same primary citation)
DOI: 10.1021/jm401252e
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.27 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.24160.4%4.1%6.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution