Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol

Summary for 3B3M

Related3B3N 3B3O 3B3P
DescriptorNitric-oxide synthase, ACETATE ION, ZINC ION, ... (7 entities in total)
Functional Keywordsnitric oxide synthase, heme enzyme, inhibitor, alternative splicing, calmodulin-binding, cell projection, fad, fmn, iron, membrane, metal-binding, nadp, oxidoreductase
Biological sourceRattus norvegicus (Rat)
Cellular locationCell membrane, sarcolemma; Peripheral membrane protein (By similarity) P29476
Total number of polymer chains2
Total molecular weight100024.7
Igarashi, J.,Li, H.,Poulos, T.L. (deposition date: 2007-10-22, release date: 2008-07-15, Last modification date: 2011-07-13)
Primary citation
Ji, H.,Stanton, B.Z.,Igarashi, J.,Li, H.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B.
Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.
J.Am.Chem.Soc., 130:3900-3914, 2008
PubMed: 18321097 (PDB entries with the same primary citation)
DOI: 10.1021/ja0772041
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22690 1.9% 5.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-21