4UPO

Structure of rat neuronal nitric oxide synthase heme domain in complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d4upoa_	Alpha and beta proteins (a+b)	Nitric oxide (NO) synthase oxygenase domain	Nitric oxide (NO) synthase oxygenase domain	Nitric oxide (NO) synthase oxygenase domain	Nitric oxide (NO) synthase oxygenase domain	NORWAY RAT (Rattus norvegicus ) [TaxId: 10116 ],	SCOPe (2.08)
B	d4upob_	Alpha and beta proteins (a+b)	Nitric oxide (NO) synthase oxygenase domain	Nitric oxide (NO) synthase oxygenase domain	Nitric oxide (NO) synthase oxygenase domain	Nitric oxide (NO) synthase oxygenase domain	NORWAY RAT (Rattus norvegicus ) [TaxId: 10116 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	Nitric oxide (NO) synthase oxygenase domain	8041238	3001407	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Nitric oxide (NO) synthase oxygenase domain	8041238	3001407	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	NO_synthase	e4upoA1	A: a+b complex topology	X: Nitric oxide (NO) synthase oxygenase domain (From Topology)	H: Nitric oxide (NO) synthase oxygenase domain (From Topology)	T: Nitric oxide (NO) synthase oxygenase domain	F: NO_synthase	ECOD (1.6)
B	NO_synthase	e4upoB1	A: a+b complex topology	X: Nitric oxide (NO) synthase oxygenase domain (From Topology)	H: Nitric oxide (NO) synthase oxygenase domain (From Topology)	T: Nitric oxide (NO) synthase oxygenase domain	F: NO_synthase	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.90.340.10	Alpha Beta	Alpha-Beta Complex	Nitric Oxide Synthase	Chain A, domain 1	CATH (4.3.0)
A	3.90.440.10	Alpha Beta	Alpha-Beta Complex	Nitric Oxide Synthase	Heme Domain	CATH (4.3.0)
A	3.90.1230.10	Alpha Beta	Alpha-Beta Complex	Bovine Endothelial Nitric Oxide Synthase Heme Domain	Chain: A,domain 3	CATH (4.3.0)
B	3.90.340.10	Alpha Beta	Alpha-Beta Complex	Nitric Oxide Synthase	Chain A, domain 1	CATH (4.3.0)
B	3.90.440.10	Alpha Beta	Alpha-Beta Complex	Nitric Oxide Synthase	Heme Domain	CATH (4.3.0)
B	3.90.1230.10	Alpha Beta	Alpha-Beta Complex	Bovine Endothelial Nitric Oxide Synthase Heme Domain	Chain: A,domain 3	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF02898	Nitric oxide synthase, oxygenase domain (NO_synthase)	Nitric oxide synthase, oxygenase domain	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	NITRIC OXIDE SYNTHASE, BRAIN	flavin adenine dinucleotide binding binding nucleoside phosphate binding ion binding organic cyclic compound binding anion binding nucleotide binding heterocyclic compound binding small molecule binding oxidoreductase activity monooxygenase activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen nitric-oxide synthase activity 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 flavin adenine dinucleotide binding binding nucleoside phosphate binding ion binding organic cyclic compound binding anion binding nucleotide binding heterocyclic compound binding small molecule binding oxidoreductase activity monooxygenase activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen nitric-oxide synthase activity 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 catalytic activity protein binding calmodulin binding scaffold protein binding tetrapyrrole binding heme binding calcium-dependent protein binding FMN binding carbohydrate derivative binding ribonucleotide binding phosphoprotein binding cation binding transition metal ion binding cadmium ion binding metal ion binding ATPase binding enzyme binding identical protein binding purine nucleotide binding adenyl nucleotide binding NADPH binding NADP binding transmembrane transporter binding channel regulator activity ion channel regulator activity molecular function regulator activity sodium channel regulator activity transporter regulator activity zinc ion binding	developmental process multicellular organismal process regulation of multicellular organismal development regulation of biological process regulation of cellular process regulation of developmental process cellular developmental process biological regulation cell development regulation of neurogenesis regulation of cell differentiation nervous system development regulation of cell development regulation of nervous system development multicellular organism development developmental process multicellular organismal process regulation of multicellular organismal development regulation of biological process regulation of cellular process regulation of developmental process cellular developmental process biological regulation cell development regulation of neurogenesis regulation of cell differentiation nervous system development regulation of cell development regulation of nervous system development multicellular organism development neurogenesis cell differentiation anatomical structure development regulation of multicellular organismal process cellular process system development regulation of tube diameter system process regulation of tube size regulation of system process negative regulation of biological process negative regulation of vasoconstriction circulatory system process regulation of blood circulation vascular process in circulatory system regulation of vasoconstriction blood vessel diameter maintenance regulation of biological quality negative regulation of multicellular organismal process vasoconstriction blood circulation regulation of anatomical structure size heart process regulation of heart contraction positive regulation of the force of heart contraction heart contraction regulation of the force of heart contraction positive regulation of phosphorylation regulation of protein modification process regulation of protein phosphorylation positive regulation of protein metabolic process positive regulation of biological process regulation of peptidyl-serine phosphorylation positive regulation of phosphate metabolic process peptidyl-serine modification regulation of primary metabolic process positive regulation of metabolic process positive regulation of protein modification process peptidyl-serine phosphorylation regulation of phosphate metabolic process phosphate-containing compound metabolic process peptidyl-amino acid modification positive regulation of macromolecule metabolic process protein metabolic process positive regulation of protein phosphorylation phosphorus metabolic process protein modification process positive regulation of cellular process protein phosphorylation positive regulation of phosphorus metabolic process phosphorylation regulation of protein metabolic process primary metabolic process regulation of macromolecule metabolic process positive regulation of peptidyl-serine phosphorylation macromolecule modification regulation of phosphorus metabolic process metabolic process regulation of phosphorylation macromolecule metabolic process regulation of metabolic process catabolic process oxoacid metabolic process glutamine family amino acid catabolic process amino acid metabolic process arginine catabolic process organic acid metabolic process organic acid catabolic process alpha-amino acid metabolic process glutamine family amino acid metabolic process cellular catabolic process arginine metabolic process carboxylic acid catabolic process small molecule metabolic process amino acid catabolic process carboxylic acid metabolic process L-amino acid catabolic process L-amino acid metabolic process proteinogenic amino acid metabolic process alpha-amino acid catabolic process proteinogenic amino acid catabolic process small molecule catabolic process regulation of postsynaptic membrane potential regulation of membrane potential cellular response to stimulus positive regulation of cell communication positive regulation of signal transduction response to stimulus signaling regulation of signal transduction cell communication positive regulation of response to stimulus positive regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway signal transduction regulation of G protein-coupled receptor signaling pathway regulation of signaling adenylate cyclase-activating G protein-coupled receptor signaling pathway positive regulation of G protein-coupled receptor signaling pathway regulation of response to stimulus adenylate cyclase-modulating G protein-coupled receptor signaling pathway regulation of cell communication G protein-coupled receptor signaling pathway regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway positive regulation of signaling cellular response to xenobiotic stimulus xenobiotic catabolic process xenobiotic metabolic process response to xenobiotic stimulus cellular response to chemical stimulus response to chemical negative regulation of cytosolic calcium ion concentration response to nutrient levels response to nutrient response to oxygen-containing compound response to vitamin E response to vitamin response to organic cyclic compound response to stress response to heat response to abiotic stimulus response to temperature stimulus negative regulation of potassium ion transport regulation of localization regulation of potassium ion transport transport regulation of transport negative regulation of monoatomic ion transport regulation of monoatomic ion transport negative regulation of transport establishment of localization metal ion transport localization monoatomic ion transport potassium ion transport monoatomic cation transport regulation of metal ion transport protein localization establishment of protein localization cellular localization cellular macromolecule localization macromolecule localization nitric oxide mediated signal transduction intracellular signal transduction intracellular signaling cassette modulation of chemical synaptic transmission long-term synaptic potentiation synaptic signaling positive regulation of long-term synaptic potentiation regulation of synaptic plasticity trans-synaptic signaling cell-cell signaling positive regulation of synaptic transmission chemical synaptic transmission regulation of trans-synaptic signaling anterograde trans-synaptic signaling regulation of long-term synaptic potentiation negative regulation of programmed cell death regulation of apoptotic process regulation of programmed cell death cell death negative regulation of apoptotic process negative regulation of cellular process apoptotic process programmed cell death response to activity regulation of actin filament-based process actin filament-based movement negative regulation of hepatic stellate cell contraction hepatic stellate cell contraction regulation of actin filament-based movement actin filament-based process actin-mediated cell contraction regulation of hepatic stellate cell contraction negative regulation of protein transport nitrogen compound transport negative regulation of secretion negative regulation of hormone secretion negative regulation of secretion by cell regulation of peptide hormone secretion negative regulation of peptide hormone secretion regulation of hormone levels establishment of protein localization to extracellular region negative regulation of establishment of protein localization protein secretion regulation of protein secretion regulation of secretion negative regulation of protein secretion regulation of hormone secretion regulation of protein localization regulation of peptide secretion negative regulation of signaling hormone secretion negative regulation of cell communication protein localization to extracellular region negative regulation of peptide secretion peptide secretion secretion by cell regulation of secretion by cell amide transport signal release negative regulation of protein localization secretion regulation of peptide transport regulation of establishment of protein localization export from cell regulation of protein transport peptide transport negative regulation of insulin secretion protein transport regulation of cellular localization regulation of insulin secretion peptide hormone secretion hormone transport insulin secretion establishment of localization in cell response to epinephrine cellular response to epinephrine stimulus response to metal ion response to lead ion response to mechanical stimulus response to external stimulus cellular response to mechanical stimulus cellular response to abiotic stimulus cellular response to external stimulus cellular response to environmental stimulus cellular response to endogenous stimulus cellular response to growth factor stimulus response to endogenous stimulus response to growth factor calcium ion transport monoamine transport import into cell serotonin uptake organic hydroxy compound transport negative regulation of neurotransmitter transport neurotransmitter reuptake regulation of neurotransmitter uptake regulation of neurotransmitter transport regulation of serotonin uptake serotonin transport neurotransmitter transport negative regulation of neurotransmitter uptake negative regulation of serotonin uptake neurotransmitter uptake regulation of sodium ion transport sodium ion transport biological process involved in interspecies interaction between organisms response to lipid response to other organism response to lipopolysaccharide response to biotic stimulus response to bacterium response to external biotic stimulus response to molecule of bacterial origin regulation of blood pressure negative regulation of blood pressure muscle contraction muscle system process striated muscle contraction retrograde trans-synaptic signaling retrograde trans-synaptic signaling by soluble gas trans-synaptic signaling by nitric oxide retrograde trans-synaptic signaling by nitric oxide synaptic signaling by nitric oxide trans-synaptic signaling by soluble gas adrenergic receptor signaling pathway positive regulation of adenylate cyclase-activating adrenergic receptor signaling pathway multicellular organismal response to stress regulation of calcium ion transport negative regulation of calcium ion transport peptidyl-cysteine modification peptidyl-cysteine S-nitrosylation protein nitrosylation response to decreased oxygen levels response to hypoxia response to oxygen levels cGMP-mediated signaling nitric oxide-cGMP-mediated signaling monoatomic ion transmembrane transport negative regulation of iron ion transmembrane transport regulation of monoatomic ion transmembrane transport negative regulation of transmembrane transport monoatomic cation transmembrane transport regulation of iron ion transmembrane transport negative regulation of monoatomic ion transmembrane transport negative regulation of cation transmembrane transport negative regulation of iron ion transport regulation of iron ion transport iron ion transport iron ion transmembrane transport inorganic ion transmembrane transport inorganic cation transmembrane transport transmembrane transport regulation of transmembrane transport transition metal ion transport regulation of monoatomic cation transmembrane transport positive regulation of DNA-templated transcription RNA metabolic process positive regulation of macromolecule biosynthetic process nucleobase-containing compound metabolic process RNA biosynthetic process nucleic acid biosynthetic process DNA-templated transcription regulation of RNA metabolic process transcription by RNA polymerase II positive regulation of biosynthetic process regulation of nucleobase-containing compound metabolic process regulation of RNA biosynthetic process regulation of biosynthetic process regulation of transcription by RNA polymerase II positive regulation of nucleobase-containing compound metabolic process positive regulation of transcription by RNA polymerase II nucleobase-containing compound biosynthetic process gene expression macromolecule biosynthetic process nucleic acid metabolic process positive regulation of RNA metabolic process regulation of gene expression biosynthetic process positive regulation of RNA biosynthetic process regulation of macromolecule biosynthetic process regulation of DNA-templated transcription response to hormone response to nitric oxide response to nitrogen compound adult behavior response to alkaloid behavior behavioral response to cocaine response to cocaine response to peptide hormone response to estrogen multi-multicellular organism process reproductive process female pregnancy multi-organism reproductive process nitric oxide metabolic process reactive nitrogen species metabolic process positive regulation of cation transmembrane transport sodium ion transmembrane transport regulation of sodium ion transmembrane transport positive regulation of sodium ion transport positive regulation of monoatomic ion transport positive regulation of sodium ion transmembrane transport positive regulation of transmembrane transport positive regulation of monoatomic ion transmembrane transport positive regulation of transport neuron apoptotic process negative regulation of neuron apoptotic process regulation of neuron apoptotic process response to alcohol response to ethanol vasodilation negative regulation of cell population proliferation cell population proliferation regulation of cell population proliferation response to nicotine nitric oxide biosynthetic process	cell periphery cellular anatomical structure sarcolemma plasma membrane membrane T-tubule membrane-bounded organelle intracellular anatomical structure nuclear membrane nucleus intracellular membrane-bounded organelle endomembrane system intracellular organelle organelle envelope cell periphery cellular anatomical structure sarcolemma plasma membrane membrane T-tubule membrane-bounded organelle intracellular anatomical structure nuclear membrane nucleus intracellular membrane-bounded organelle endomembrane system intracellular organelle organelle envelope organelle nuclear envelope organelle membrane cytoplasm cytosol axon synapse neuron projection axon terminus plasma membrane bounded cell projection presynapse cell projection distal axon calyx of Held cell junction neuron projection terminus neuron spine dendritic spine somatodendritic compartment postsynapse dendrite dendritic tree lytic vacuole intracellular vesicle azurophil granule vacuole cytoplasmic vesicle secretory granule primary lysosome secretory vesicle vesicle lysosome sarcoplasm endoplasmic reticulum sarcoplasmic reticulum membrane microdomain membrane raft plasma membrane raft plasma membrane region caveola protein-containing complex postsynaptic specialization intracellular membraneless organelle postsynaptic specialization, intracellular component membraneless organelle Z disc sarcomere I band contractile muscle fiber supramolecular fiber myofibril supramolecular polymer supramolecular complex photoreceptor inner segment glutamatergic synapse cytoskeleton perinuclear region of cytoplasm mitochondrial membrane mitochondrion organelle outer membrane bounding membrane of organelle mitochondrial envelope mitochondrial outer membrane outer membrane postsynaptic density, intracellular component postsynaptic density neuron to neuron synapse asymmetric synapse organelle subcompartment endoplasmic reticulum subcompartment nuclear outer membrane-endoplasmic reticulum membrane network sarcoplasmic reticulum membrane endoplasmic reticulum membrane

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR001094	Flavodoxin-like	Domain
A, B	IPR036119	Nitric oxide synthase, N-terminal domain superfamily	Homologous Superfamily
A, B	IPR044943	Nitric oxide synthase, domain 1 superfamily	Homologous Superfamily
A, B	IPR003097	Sulfite reductase [NADPH] flavoprotein alpha-component-like, FAD-binding	Domain
A, B	IPR017938	Riboflavin synthase-like beta-barrel	Homologous Superfamily
A, B	IPR029039	Flavoprotein-like superfamily	Homologous Superfamily
A, B	IPR050607	Nitric Oxide Synthase (NOS)	Family
A, B	IPR001478	PDZ domain	Domain
A, B	IPR001709	Flavoprotein pyridine nucleotide cytochrome reductase	Domain
A, B	IPR001433	Oxidoreductase FAD/NAD(P)-binding	Domain
A, B	IPR004030	Nitric oxide synthase, N-terminal	Domain
A, B	IPR023173	NADPH-cytochrome p450 reductase, FAD-binding, alpha-helical domain superfamily	Homologous Superfamily
A, B	IPR008254	Flavodoxin/nitric oxide synthase	Domain
A, B	IPR039261	Ferredoxin-NADP reductase (FNR), nucleotide-binding domain	Homologous Superfamily
A, B	IPR017927	FAD-binding domain, ferredoxin reductase-type	Domain
A, B	IPR044944	Nitric oxide synthase, domain 3 superfamily	Homologous Superfamily
A, B	IPR044940	Nitric oxide synthase, domain 2 superfamily	Homologous Superfamily
A, B	IPR036034	PDZ superfamily	Homologous Superfamily
A, B	IPR012144	Nitric-oxide synthase, eukaryote	Family

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.