3NLM

Structure of neuronal nitric oxide synthase heme domain in complex with 6-{{(3'R,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine

Summary for 3NLM

Related3NLD 3NLE 3NLF 3NLG 3NLH 3NLI 3NLJ 3NLK 3NLN 3NLO 3NLP 3NLQ 3NLR 3NLT 3NLU 3NLV 3NLW 3NLX 3NLY 3NLZ 3NM0
DescriptorNitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ... (7 entities in total)
Functional Keywordsnitric oxide synthase, inhibitor, heme enzyme, oxidoreductase
Biological sourceRattus norvegicus (brown rat,rat,rats)
Total number of polymer chains2
Total molecular weight100268.98
Authors
Li, H.,Delker, S.L.,Poulos, T.L. (deposition date: 2010-06-21, release date: 2010-11-03, Last modification date: 2019-07-17)
Primary citation
Ji, H.,Delker, S.L.,Li, H.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B.
Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53:7804-7824, 2010
PubMed: 20958055 (PDB entries with the same primary citation)
DOI: 10.1021/jm100947x
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.85 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23630 2.7% 15.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution