|Entry||Database: PDB / ID: 3n6d|
|Title||Structure of endothelial nitric oxide synthase H373S single mutant heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)|
|Components||Nitric oxide synthase|
|Keywords||OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / nitric oxide synthase / heme enzyme / substrate inhibitor / OXIDOREDUCTASE / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex|
|Function / homology|
Function and homology information
synaptic signaling by nitric oxide / Nitric oxide stimulates guanylate cyclase / positive regulation of adenylate cyclase-activating adrenergic receptor signaling pathway involved in heart process / negative regulation of hepatic stellate cell contraction / negative regulation of vasoconstriction / ROS and RNS production in phagocytes / negative regulation of iron ion transmembrane transport / azurophil granule / Ion homeostasis / retrograde trans-synaptic signaling by nitric oxide ...synaptic signaling by nitric oxide / Nitric oxide stimulates guanylate cyclase / positive regulation of adenylate cyclase-activating adrenergic receptor signaling pathway involved in heart process / negative regulation of hepatic stellate cell contraction / negative regulation of vasoconstriction / ROS and RNS production in phagocytes / negative regulation of iron ion transmembrane transport / azurophil granule / Ion homeostasis / retrograde trans-synaptic signaling by nitric oxide / negative regulation of cytosolic calcium ion concentration / behavioral response to cocaine / response to nitric oxide / positive regulation of sodium ion transmembrane transport / postsynaptic specialization, intracellular component / positive regulation of the force of heart contraction / regulation of heart contraction / negative regulation of potassium ion transport / cadmium ion binding / postsynaptic density, intracellular component / negative regulation of serotonin uptake / calyx of Held / regulation of sodium ion transport / sodium channel regulator activity / striated muscle contraction / peptidyl-cysteine S-nitrosylation / negative regulation of calcium ion transport / negative regulation of insulin secretion / regulation of neurogenesis / negative regulation of hydrolase activity / multicellular organismal response to stress / response to vitamin E / xenobiotic catabolic process => GO:0042178 / negative regulation of heart contraction / regulation of sensory perception of pain / nitric-oxide synthase (NADPH) / positive regulation of guanylate cyclase activity / negative regulation of blood pressure / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen / T-tubule / nitric oxide mediated signal transduction / sarcoplasmic reticulum membrane / cellular response to epinephrine stimulus / negative regulation of peptidyl-serine phosphorylation / nitric-oxide synthase activity / vesicle membrane / arginine catabolic process / NADPH binding / response to organonitrogen compound / response to hormone / positive regulation of histone acetylation / sarcoplasmic reticulum / response to peptide hormone / nitric oxide biosynthetic process / response to nicotine / response to nutrient levels / response to activity / cell periphery / secretory granule / positive regulation of long-term synaptic potentiation / photoreceptor inner segment / sarcolemma / muscle contraction / cellular response to growth factor stimulus / response to organic cyclic compound / vasodilation / response to lead ion / female pregnancy / Z disc / phosphoprotein binding / establishment of protein localization / calcium-dependent protein binding / positive regulation of neuron death / cellular response to mechanical stimulus / brain development / FMN binding / scaffold protein binding / flavin adenine dinucleotide binding / response to heat / transmembrane transporter binding / NADP binding / nuclear membrane / positive regulation of peptidyl-serine phosphorylation / response to lipopolysaccharide / ATPase binding / mitochondrial outer membrane / response to ethanol / negative regulation of neuron apoptotic process / response to estrogen / calmodulin binding / dendritic spine / aging / response to hypoxia / postsynaptic density / cytoskeleton / oxidoreductase activity / negative regulation of cell population proliferation / synapse / glutamatergic synapse / membrane raft
Similarity search - Function
Nitric-oxide synthase, eukaryote / Nitric Oxide Synthase; Chain A, domain 1 / Bovine Endothelial Nitric Oxide Synthase Heme Domain; Chain: A,domain 3 / Nitric Oxide Synthase; Chain A, domain 1 / Nitric Oxide Synthase;Heme Domain; Chain A, domain 2 / Nitric Oxide Synthase;Heme Domain;Chain A domain 2 / Nitric Oxide Synthase; Chain A, domain 3 / Nitric oxide synthase, N-terminal domain superfamily / Nitric oxide synthase, oxygenase domain / Nitric oxide synthase, N-terminal ...Nitric-oxide synthase, eukaryote / Nitric Oxide Synthase; Chain A, domain 1 / Bovine Endothelial Nitric Oxide Synthase Heme Domain; Chain: A,domain 3 / Nitric Oxide Synthase; Chain A, domain 1 / Nitric Oxide Synthase;Heme Domain; Chain A, domain 2 / Nitric Oxide Synthase;Heme Domain;Chain A domain 2 / Nitric Oxide Synthase; Chain A, domain 3 / Nitric oxide synthase, N-terminal domain superfamily / Nitric oxide synthase, oxygenase domain / Nitric oxide synthase, N-terminal / Nitric oxide synthase (NOS) signature. / FAD binding domain / NADPH-cytochrome p450 reductase, FAD-binding, alpha-helical domain superfamily / Sulfite reductase [NADPH] flavoprotein alpha-component-like, FAD-binding / Flavodoxin-like / Flavoprotein pyridine nucleotide cytochrome reductase / Flavodoxin / Oxidoreductase NAD-binding domain / Oxidoreductase FAD/NAD(P)-binding / Flavodoxin-like domain profile. / Flavodoxin/nitric oxide synthase / Ferredoxin-NADP reductase (FNR), nucleotide-binding domain / Ferredoxin reductase-type FAD binding domain profile. / FAD-binding domain, ferredoxin reductase-type / Riboflavin synthase-like beta-barrel / PDZ domain / Flavoprotein-like superfamily / PDZ domain profile. / Domain present in PSD-95, Dlg, and ZO-1/2. / PDZ domain / PDZ superfamily / Alpha-Beta Complex / Alpha Beta
Similarity search - Domain/homology
CACODYLIC ACID / 5,6,7,8-TETRAHYDROBIOPTERIN / Chem-XFN / PROTOPORPHYRIN IX CONTAINING FE / Nitric oxide synthase, brain
Similarity search - Component
|Biological species||Bos taurus (cattle)|
|Method||X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 3.05 Å|
|Authors||Delker, S.L. / Li, H. / Poulos, T.L.|
|Citation||Journal: Biochemistry / Year: 2010|
Title: Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Authors: Delker, S.L. / Xue, F. / Li, H. / Jamal, J. / Silverman, R.B. / Poulos, T.L.
|Structure viewer||Molecule: |
Downloads & links
A: Nitric oxide synthase
B: Nitric oxide synthase
-Protein , 1 types, 2 molecules A
Mass: 49659.039 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bos taurus (cattle) / Gene: NOS3 / Plasmid: pCWori / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) / References: UniProt: P29476, nitric-oxide synthase (NADPH)
-Non-polymers , 6 types, 30 molecules
|#2: Chemical||#3: Chemical|
Mass: 241.247 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C9H15N5O3 / Comment: neurotransmitter*YM
|#4: Chemical||#5: Chemical||#6: Chemical|| ChemComp-ZN / ||#7: Water|| ChemComp-HOH / |
|Sequence details||AUTHORS STATE THAT THEIR DENSITY SUPPORT ARG AT THIS POSITION.|
|Experiment||Method: X-RAY DIFFRACTION / Number of used crystals: 1|
|Crystal||Density Matthews: 2.41 Å3/Da / Density % sol: 48.89 %|
|Crystal grow||Temperature: 278 K / Method: vapor diffusion, sitting drop / pH: 6.5 |
Details: 9-12% PEG 3350, 0.2M magnesium acetate, 0.1M sodium cacodylate, 0.005M TCEP-HCl , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|Diffraction||Mean temperature: 100 K|
|Diffraction source||Source: SYNCHROTRON / Site: SSRL / Beamline: BL9-2 / Wavelength: 1 Å|
|Detector||Type: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Feb 21, 2010 / Details: mirrors|
|Radiation||Monochromator: graphite / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray|
|Radiation wavelength||Wavelength: 1 Å / Relative weight: 1|
|Reflection||Resolution: 3.05→50 Å / Num. obs: 18759 / % possible obs: 99.2 % / Observed criterion σ(I): -3 / Redundancy: 3.7 % / Biso Wilson estimate: 77 Å2 / Rmerge(I) obs: 0.118 / Rsym value: 0.118 / Net I/σ(I): 11.88|
|Reflection shell||Resolution: 3.05→3.1 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.702 / Mean I/σ(I) obs: 1.95 / Num. unique all: 931 / Rsym value: 0.702 / % possible all: 100|
|Refinement||Method to determine structure: FOURIER SYNTHESIS / Resolution: 3.05→38.59 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.861 / SU B: 58.282 / SU ML: 0.488 / Cross valid method: THROUGHOUT / σ(I): 3 / ESU R Free: 0.55 / Stereochemistry target values: Engh & Huber / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS|
|Solvent computation||Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK|
|Displacement parameters||Biso mean: 60.468 Å2|
|Refinement step||Cycle: LAST / Resolution: 3.05→38.59 Å|
|Refine LS restraints|
|LS refinement shell||Resolution: 3.054→3.132 Å / Total num. of bins used: 20 |
|Refinement TLS params.|
Method: refined / Refine-ID: X-RAY DIFFRACTION
|Refinement TLS group|
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