4CX7

Structure of human iNOS heme domain in complex with (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE

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
Pharos: Disease Associations

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

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
C	d4cx7c_	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	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D	d4cx7d_	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	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
A	d4cx7a_	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	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d4cx7b_	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	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
C	SCOP2B Superfamily	Nitric oxide (NO) synthase oxygenase domain	8040962	3001407	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Nitric oxide (NO) synthase oxygenase domain	8040962	3001407	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	Nitric oxide (NO) synthase oxygenase domain	8040962	3001407	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Nitric oxide (NO) synthase oxygenase domain	8040962	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)
C	NO_synthase	e4cx7C1	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)
D	NO_synthase	e4cx7D1	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)
A	NO_synthase	e4cx7A1	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	e4cx7B1	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)
C	3.90.340.10	Alpha Beta	Alpha-Beta Complex	Nitric Oxide Synthase	Chain A, domain 1	CATH (4.3.0)
C	3.90.440.10	Alpha Beta	Alpha-Beta Complex	Nitric Oxide Synthase	Heme Domain	CATH (4.3.0)
C	3.90.1230.10	Alpha Beta	Alpha-Beta Complex	Bovine Endothelial Nitric Oxide Synthase Heme Domain	Chain: A,domain 3	CATH (4.3.0)
D	3.90.340.10	Alpha Beta	Alpha-Beta Complex	Nitric Oxide Synthase	Chain A, domain 1	CATH (4.3.0)
D	3.90.440.10	Alpha Beta	Alpha-Beta Complex	Nitric Oxide Synthase	Heme Domain	CATH (4.3.0)
D	3.90.1230.10	Alpha Beta	Alpha-Beta Complex	Bovine Endothelial Nitric Oxide Synthase Heme Domain	Chain: A,domain 3	CATH (4.3.0)
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, C, D	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, C, D	NITRIC OXIDE SYNTHASE, INDUCIBLE	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 cation binding organic acid 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 cation binding organic acid binding amino acid binding carboxylic acid binding arginine 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 metal ion binding tetrahydrobiopterin binding purine nucleotide binding adenyl nucleotide binding NADP binding identical protein binding protein homodimerization activity protein dimerization activity tetrapyrrole binding heme binding	prostaglandin transport transport signaling cell communication localization secretion by cell monocarboxylic acid transport fatty acid transport icosanoid transport signal release prostaglandin secretion icosanoid secretion regulation of biological process organic anion transport prostaglandin transport transport signaling cell communication localization secretion by cell monocarboxylic acid transport fatty acid transport icosanoid transport signal release prostaglandin secretion icosanoid secretion regulation of biological process organic anion transport carboxylic acid transport secretion biological regulation cell-cell signaling export from cell lipid localization lipid transport establishment of localization organic acid transport lipid export from cell macromolecule localization cellular 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 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 biological process involved in interspecies interaction between organisms response to stimulus response to other organism defense response response to external stimulus response to biotic stimulus defense response to bacterium defense response to other organism response to stress response to bacterium response to external biotic stimulus peptidyl-cysteine modification peptidyl-cysteine S-nitrosylation macromolecule modification peptidyl-amino acid modification protein metabolic process macromolecule metabolic process protein modification process protein nitrosylation multicellular organismal process regulation of cellular process positive regulation of interleukin-8 production positive regulation of biological process positive regulation of macromolecule biosynthetic process positive regulation of metabolic process positive regulation of biosynthetic process cytokine production regulation of cytokine production regulation of multicellular organismal process positive regulation of macromolecule metabolic process positive regulation of cellular process regulation of biosynthetic process interleukin-8 production regulation of macromolecule metabolic process gene expression macromolecule biosynthetic process regulation of gene expression biosynthetic process positive regulation of gene expression positive regulation of multicellular organismal process regulation of macromolecule biosynthetic process positive regulation of cytokine production regulation of metabolic process regulation of interleukin-8 production protein localization regulation of localization establishment of protein localization nitrogen compound transport cellular macromolecule localization regulation of biological quality regulation of peptide hormone secretion regulation of hormone levels establishment of protein localization to extracellular region protein secretion regulation of protein secretion regulation of secretion cellular localization regulation of hormone secretion regulation of protein localization regulation of peptide secretion hormone secretion protein localization to extracellular region peptide secretion regulation of secretion by cell amide transport regulation of signaling regulation of transport regulation of peptide transport regulation of establishment of protein localization regulation of protein transport peptide transport protein transport regulation of cellular localization regulation of insulin secretion peptide hormone secretion hormone transport regulation of cell communication insulin secretion cell redox homeostasis cellular homeostasis homeostatic process response to decreased oxygen levels response to hypoxia response to oxygen levels response to abiotic stimulus defense response to Gram-negative bacterium cellular response to stimulus cellular response to chemical stimulus response to chemical cellular response to xenobiotic stimulus response to xenobiotic stimulus negative regulation of biological process macromolecule catabolic process negative regulation of protein catabolic process regulation of primary metabolic process negative regulation of cellular process negative regulation of protein metabolic process negative regulation of macromolecule metabolic process negative regulation of catabolic process regulation of protein metabolic process negative regulation of metabolic process protein catabolic process regulation of catabolic process regulation of protein catabolic process response to hormone response to endogenous stimulus rhythmic process circadian rhythm nitric oxide mediated signal transduction intracellular signal transduction intracellular signaling cassette signal transduction superoxide metabolic process reactive oxygen species metabolic process interleukin-6 production positive regulation of interleukin-6 production regulation of interleukin-6 production response to lipid cellular response to lipopolysaccharide response to oxygen-containing compound cellular response to molecule of bacterial origin response to lipopolysaccharide cellular response to oxygen-containing compound cellular response to biotic stimulus cellular response to lipid response to molecule of bacterial origin regulation of immune effector process positive regulation of leukocyte mediated immunity regulation of leukocyte mediated cytotoxicity leukocyte mediated cytotoxicity immune effector process regulation of leukocyte mediated immunity positive regulation of leukocyte mediated cytotoxicity immune system process leukocyte mediated immunity regulation of immune system process regulation of cell killing positive regulation of immune effector process positive regulation of cell killing positive regulation of immune system process cell killing immune response response to type II interferon response to cytokine defense response to symbiont cellular response to type II interferon response to peptide innate immune response cellular response to cytokine stimulus innate immune response in mucosa mucosal immune response organ or tissue specific immune response regulation of cytokine production involved in inflammatory response production of molecular mediator involved in inflammatory response cytokine production involved in inflammatory response inflammatory response positive regulation of programmed cell death positive regulation of killing of cells of another organism regulation of killing of cells of another organism disruption of cell in another organism regulation of programmed cell death cell death disruption of anatomical structure in another organism modulation of process of another organism programmed cell death killing of cells of another organism cell population proliferation regulation of cell population proliferation negative regulation of gene expression negative regulation of biosynthetic process negative regulation of macromolecule biosynthetic process cellular respiration energy derivation by oxidation of organic compounds regulation of generation of precursor metabolites and energy generation of precursor metabolites and energy regulation of cellular respiration system process circulatory system process regulation of blood pressure negative regulation of blood pressure blood circulation nitric oxide metabolic process nitric oxide biosynthetic process reactive nitrogen species metabolic process	cellular anatomical structure intracellular anatomical structure cytoplasm cytosol membrane-bounded organelle intracellular organelle organelle peroxisome microbody intracellular membrane-bounded organelle perinuclear region of cytoplasm peroxisomal matrix membrane-enclosed lumen intracellular organelle lumen cellular anatomical structure intracellular anatomical structure cytoplasm cytosol membrane-bounded organelle intracellular organelle organelle peroxisome microbody intracellular membrane-bounded organelle perinuclear region of cytoplasm peroxisomal matrix membrane-enclosed lumen intracellular organelle lumen organelle lumen microbody lumen cell cortex cortical cytoskeleton intracellular membraneless organelle cell periphery cytoskeleton membraneless organelle plasma membrane membrane nucleus nucleoplasm nuclear lumen

InterPro: Protein Family Classification InterPro Database Homepage

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

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C, D	Pharos: P35228	psoriasis hypertensive disorder Marfan syndrome sclerosing cholangitis silicosis Stevens-Johnson syndrome duodenal ulcer Turner syndrome status epilepticus malaria psoriatic arthritis Takayasu arteritis cholangiocarcinoma asbestosis asthma psoriasis hypertensive disorder Marfan syndrome sclerosing cholangitis silicosis Stevens-Johnson syndrome duodenal ulcer Turner syndrome status epilepticus malaria psoriatic arthritis Takayasu arteritis cholangiocarcinoma asbestosis asthma liver disease congestive heart failure visual epilepsy malignant colon neoplasm Diabetes Mellitus, Experimental primary sclerosing cholangitis breast carcinoma substance withdrawal syndrome toxic shock syndrome myocardial infarction essential hypertension intestinal schistosomiasis cholestasis focal segmental glomerulosclerosis aspiration pneumonia perinatal necrotizing enterocolitis brain ischemia bronchial disease retinal disease intestinal disease secondary Parkinson disease intrahepatic cholangiocarcinoma ureteral obstruction kidney disease colitis gastric ulcer atherosclerosis brain edema subarachnoid hemorrhage manganese poisoning esophageal cancer type 2 diabetes mellitus myocardial stunning lung carcinoma Crohn disease heart failure brain hypoxia - ischemia pulmonary emphysema acute kidney failure pustulosis palmaris et plantaris ulcerative colitis extrahepatic cholestasis chronic obstructive pulmonary disease neoplasm of esophagus benign colon neoplasm sinusitis bowel dysfunction primary biliary cholangitis maturity-onset diabetes of the young cerebrovascular disorder essential hypertension, genetic arteriosclerosis disorder aspiration pneumonitis autism lung benign neoplasm bile duct cancer cystic fibrosis depressive disorder primary ovarian failure breast cancer burn inborn mitochondrial metabolism disorder toxic epidermal necrolysis ankylosing spondylitis ischemia reperfusion injury urinary tract infection necrotizing enterocolitis colonic neoplasm

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.