6AV6

Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine

Summary for 6AV6

Related6AUR 6AUT 6AUQ 6AUS 6AUZ 6AV1 6AUY 6AV0 6AV2 6AV7 6AUU 6AUV 6AUW 6AUX 6AV3 6AV4 6AV5
DescriptorNitric oxide synthase, endothelial, PROTOPORPHYRIN IX CONTAINING FE, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, ... (10 entities in total)
Functional Keywordsnitric oxide synthase inhibitor complex heme enzyme, oxidoreductase
Biological sourceHomo sapiens (Human)
Total number of polymer chains4
Total molecular weight204988.6
Authors
Li, H.,Poulos, T.L. (deposition date: 2017-09-01, release date: 2018-07-11)
Primary citation
Do, H.T.,Wang, H.Y.,Li, H.,Chreifi, G.,Poulos, T.L.,Silverman, R.B.
Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60:9360-9375, 2017
PubMed: 29091437 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.7b01356
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.08 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.23550.4%2.3%14.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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More Biological unit images

Molmil generated image of 6av6
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Molmil generated image of 6av6
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Molmil generated image of 6av6
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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (6av6.pdb1.gz [285.69 KB])
Coordinate files for Biological unit (6av6.pdb2.gz [284.39 KB])
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