4D3N

Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-((2-(pyridin-2-yl)ethyl)amino)benzonitrile

Summary for 4D3N

Related4D3I 4D3J 4D3K 4D3M 4D3O 4D3T 4D3U 4D3V
DescriptorNITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile, ... (6 entities in total)
Functional Keywordsnitric oxide synthase, oxidoreductase, inhibitor
Biological sourceBACILLUS SUBTILIS
Total number of polymer chains1
Total molecular weight43217.59
Authors
Holden, J.K.,Poulos, T.L. (deposition date: 2014-10-23, release date: 2015-01-14, Last modification date: 2019-02-06)
Primary citation
Holden, J.K.,Kang, S.,Hollingsworth, S.A.,Li, H.,Lim, N.,Chen, S.,Huang, H.,Xue, F.,Tang, W.,Silverman, R.B.,Poulos, T.L.
Structure-based design of bacterial nitric oxide synthase inhibitors.
J. Med. Chem., 58:994-1004, 2015
PubMed: 25522110 (PDB entries with the same primary citation)
DOI: 10.1021/jm501723p
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.13 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.20230 2.3% 4.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report