4UPS

Structure of bovine endothelial 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	d4upsa_	Alpha and beta proteins (a+b)	Nitric oxide (NO) synthase oxygenase domain	Nitric oxide (NO) synthase oxygenase domain	Nitric oxide (NO) synthase oxygenase domain	automated matches	CATTLE (Bos taurus ) [TaxId: 9913 ],	SCOPe (2.08)
B	d4upsb_	Alpha and beta proteins (a+b)	Nitric oxide (NO) synthase oxygenase domain	Nitric oxide (NO) synthase oxygenase domain	Nitric oxide (NO) synthase oxygenase domain	automated matches	CATTLE (Bos taurus ) [TaxId: 9913 ],	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	8035505	3001407	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Nitric oxide (NO) synthase oxygenase domain	8035505	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	e4upsA1	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	e4upsB1	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, ENDOTHELIAL	binding nucleotide binding FMN binding nucleoside phosphate binding ion binding organic cyclic compound binding anion binding heterocyclic compound binding carbohydrate derivative binding ribonucleotide binding small molecule binding flavin adenine dinucleotide binding purine nucleotide binding adenyl nucleotide binding binding nucleotide binding FMN binding nucleoside phosphate binding ion binding organic cyclic compound binding anion binding heterocyclic compound binding carbohydrate derivative binding ribonucleotide binding small molecule binding flavin adenine dinucleotide binding purine nucleotide binding adenyl nucleotide binding NADP binding tetrapyrrole binding heme 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 cation binding metal ion binding	multicellular organismal process regulation of body fluid levels wound healing response to stimulus hemostasis biological regulation blood coagulation response to stress coagulation regulation of biological quality response to wounding regulation of biological process regulation of cellular process regulation of cell adhesion multicellular organismal process regulation of body fluid levels wound healing response to stimulus hemostasis biological regulation blood coagulation response to stress coagulation regulation of biological quality response to wounding regulation of biological process regulation of cellular process regulation of cell adhesion negative regulation of biological process leukocyte cell-cell adhesion negative regulation of cell adhesion cell adhesion cell-cell adhesion negative regulation of leukocyte cell-cell adhesion negative regulation of cell-cell adhesion regulation of leukocyte cell-cell adhesion negative regulation of cellular process regulation of cell-cell adhesion cellular process cellular response to stimulus nitric oxide mediated signal transduction signaling intracellular signal transduction cell communication intracellular signaling cassette signal transduction extrinsic apoptotic signaling pathway via death domain receptors negative regulation of signaling regulation of signal transduction regulation of programmed cell death extrinsic apoptotic signaling pathway negative regulation of cell communication negative regulation of extrinsic apoptotic signaling pathway negative regulation of apoptotic signaling pathway regulation of signaling cell surface receptor signaling pathway negative regulation of response to stimulus negative regulation of programmed cell death regulation of apoptotic process negative regulation of extrinsic apoptotic signaling pathway via death domain receptors cell death negative regulation of signal transduction regulation of extrinsic apoptotic signaling pathway apoptotic signaling pathway negative regulation of apoptotic process regulation of response to stimulus regulation of extrinsic apoptotic signaling pathway via death domain receptors regulation of cell communication apoptotic process programmed cell death regulation of apoptotic signaling pathway 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 primary metabolic process L-amino acid metabolic process proteinogenic amino acid metabolic process alpha-amino acid catabolic process proteinogenic amino acid catabolic process metabolic process small molecule catabolic process response to laminar fluid shear stress cellular response to stress cellular response to laminar fluid shear stress response to fluid shear stress cellular response to fluid shear stress cellular component organization organelle organization cellular component organization or biogenesis mitochondrion organization biological process involved in interspecies interaction between organisms response to lipid response to other organism response to oxygen-containing compound response to external stimulus response to lipopolysaccharide response to biotic stimulus response to bacterium response to chemical response to external biotic stimulus response to molecule of bacterial origin response to hormone response to endogenous stimulus system process circulatory system process regulation of blood pressure negative regulation of blood pressure blood circulation nitric oxide metabolic process nitric oxide biosynthetic process biosynthetic process reactive nitrogen species metabolic process regulation of catalytic activity nucleotide biosynthetic process positive regulation of phosphate metabolic process positive regulation of nucleotide biosynthetic process regulation of nucleotide biosynthetic process regulation of primary metabolic process nucleobase-containing compound metabolic process positive regulation of metabolic process regulation of lyase activity positive regulation of purine nucleotide biosynthetic process regulation of small molecule metabolic process regulation of phosphate metabolic process regulation of nucleotide metabolic process phosphate-containing compound metabolic process regulation of nucleobase-containing compound metabolic process phosphorus metabolic process positive regulation of lyase activity nucleoside phosphate metabolic process positive regulation of nucleobase-containing compound metabolic process positive regulation of phosphorus metabolic process positive regulation of guanylate cyclase activity nucleotide metabolic process regulation of purine nucleotide metabolic process regulation of molecular function organophosphate biosynthetic process nucleoside phosphate biosynthetic process regulation of phosphorus metabolic process regulation of metabolic process purine nucleotide biosynthetic process positive regulation of nucleotide metabolic process positive regulation of biological process positive regulation of molecular function regulation of guanylate cyclase activity purine nucleotide metabolic process positive regulation of biosynthetic process nucleobase-containing small molecule metabolic process purine-containing compound biosynthetic process regulation of cyclase activity positive regulation of cellular process regulation of biosynthetic process regulation of purine nucleotide biosynthetic process positive regulation of cyclase activity positive regulation of catalytic activity nucleobase-containing compound biosynthetic process purine-containing compound metabolic process positive regulation of purine nucleotide metabolic process organophosphate metabolic process positive regulation of small molecule metabolic process	cellular anatomical structure intracellular anatomical structure cytoplasm cytosol membrane microdomain cell periphery membrane raft plasma membrane raft membrane plasma membrane plasma membrane region caveola membrane-bounded organelle intracellular organelle cellular anatomical structure intracellular anatomical structure cytoplasm cytosol membrane microdomain cell periphery membrane raft plasma membrane raft membrane plasma membrane plasma membrane region caveola membrane-bounded organelle intracellular organelle Golgi apparatus organelle intracellular membrane-bounded organelle endomembrane system cytoskeleton membraneless organelle intracellular membraneless organelle nucleus

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR001709	Flavoprotein pyridine nucleotide cytochrome reductase	Domain
A, B	IPR044943	Nitric oxide synthase, domain 1 superfamily	Homologous Superfamily
A, B	IPR001433	Oxidoreductase FAD/NAD(P)-binding	Domain
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	IPR001094	Flavodoxin-like	Domain
A, B	IPR044940	Nitric oxide synthase, domain 2 superfamily	Homologous Superfamily
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	IPR029039	Flavoprotein-like superfamily	Homologous Superfamily
A, B	IPR050607	Nitric Oxide Synthase (NOS)	Family
A, B	IPR012144	Nitric-oxide synthase, eukaryote	Family
A, B	IPR036119	Nitric oxide synthase, N-terminal domain superfamily	Homologous Superfamily
A, B	IPR044944	Nitric oxide synthase, domain 3 superfamily	Homologous Superfamily

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.