5K0B

Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(1-phenylethyl)-1H-pyrazol-5-yl]-1,3-thiazole

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	d5k0ba_	Alpha and beta proteins (a/b)	S-adenosyl-L-methionine-dependent methyltransferases	S-adenosyl-L-methionine-dependent methyltransferases	COMT-like	Catechol O-methyltransferase, COMT	Norway Rat (Rattus norvegicus ) [TaxId: 10116 ],	SCOPe (2.08)
B	d5k0bb_	Alpha and beta proteins (a/b)	S-adenosyl-L-methionine-dependent methyltransferases	S-adenosyl-L-methionine-dependent methyltransferases	COMT-like	Catechol O-methyltransferase, COMT	Norway Rat (Rattus norvegicus ) [TaxId: 10116 ],	SCOPe (2.08)
C	d5k0bc_	Alpha and beta proteins (a/b)	S-adenosyl-L-methionine-dependent methyltransferases	S-adenosyl-L-methionine-dependent methyltransferases	COMT-like	Catechol O-methyltransferase, COMT	Norway Rat (Rattus norvegicus ) [TaxId: 10116 ],	SCOPe (2.08)
D	d5k0bd1	Alpha and beta proteins (a/b)	S-adenosyl-L-methionine-dependent methyltransferases	S-adenosyl-L-methionine-dependent methyltransferases	COMT-like	Catechol O-methyltransferase, COMT	Norway Rat (Rattus norvegicus ) [TaxId: 10116 ],	SCOPe (2.08)
D	d5k0bd2	Artifacts	Tags	Tags	Tags	C-terminal Tags	Norway Rat (Rattus norvegicus ) [TaxId: 10116 ],	SCOPe (2.08)
E	d5k0be_	Alpha and beta proteins (a/b)	S-adenosyl-L-methionine-dependent methyltransferases	S-adenosyl-L-methionine-dependent methyltransferases	COMT-like	Catechol O-methyltransferase, COMT	Norway Rat (Rattus norvegicus ) [TaxId: 10116 ],	SCOPe (2.08)
F	d5k0bf_	Alpha and beta proteins (a/b)	S-adenosyl-L-methionine-dependent methyltransferases	S-adenosyl-L-methionine-dependent methyltransferases	COMT-like	Catechol O-methyltransferase, COMT	Norway Rat (Rattus norvegicus ) [TaxId: 10116 ],	SCOPe (2.08)
G	d5k0bg_	Alpha and beta proteins (a/b)	S-adenosyl-L-methionine-dependent methyltransferases	S-adenosyl-L-methionine-dependent methyltransferases	COMT-like	Catechol O-methyltransferase, COMT	Norway Rat (Rattus norvegicus ) [TaxId: 10116 ],	SCOPe (2.08)
H	d5k0bh_	Alpha and beta proteins (a/b)	S-adenosyl-L-methionine-dependent methyltransferases	S-adenosyl-L-methionine-dependent methyltransferases	COMT-like	Catechol O-methyltransferase, COMT	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	S-adenosyl-L-methionine-dependent methyltransferases	8039015	3000118	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	S-adenosyl-L-methionine-dependent methyltransferases	8039015	3000118	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	S-adenosyl-L-methionine-dependent methyltransferases	8039015	3000118	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	S-adenosyl-L-methionine-dependent methyltransferases	8039015	3000118	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	S-adenosyl-L-methionine-dependent methyltransferases	8039015	3000118	SCOP2B (2022-06-29)
F	SCOP2B Superfamily	S-adenosyl-L-methionine-dependent methyltransferases	8039015	3000118	SCOP2B (2022-06-29)
G	SCOP2B Superfamily	S-adenosyl-L-methionine-dependent methyltransferases	8039015	3000118	SCOP2B (2022-06-29)
H	SCOP2B Superfamily	S-adenosyl-L-methionine-dependent methyltransferases	8039015	3000118	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	PF01596	e5k0bA1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: S-adenosyl-L-methionine-dependent methyltransferases	F: PF01596	ECOD (1.6)
B	PF01596	e5k0bB1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: S-adenosyl-L-methionine-dependent methyltransferases	F: PF01596	ECOD (1.6)
C	PF01596	e5k0bC1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: S-adenosyl-L-methionine-dependent methyltransferases	F: PF01596	ECOD (1.6)
D	PF01596	e5k0bD1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: S-adenosyl-L-methionine-dependent methyltransferases	F: PF01596	ECOD (1.6)
E	PF01596	e5k0bE1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: S-adenosyl-L-methionine-dependent methyltransferases	F: PF01596	ECOD (1.6)
F	PF01596	e5k0bF1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: S-adenosyl-L-methionine-dependent methyltransferases	F: PF01596	ECOD (1.6)
G	PF01596	e5k0bG1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: S-adenosyl-L-methionine-dependent methyltransferases	F: PF01596	ECOD (1.6)
H	PF01596	e5k0bH1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: S-adenosyl-L-methionine-dependent methyltransferases	F: PF01596	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.50.150	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Vaccinia Virus protein VP39	CATH (4.3.0)
B	3.40.50.150	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Vaccinia Virus protein VP39	CATH (4.3.0)
C	3.40.50.150	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Vaccinia Virus protein VP39	CATH (4.3.0)
D	3.40.50.150	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Vaccinia Virus protein VP39	CATH (4.3.0)
E	3.40.50.150	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Vaccinia Virus protein VP39	CATH (4.3.0)
F	3.40.50.150	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Vaccinia Virus protein VP39	CATH (4.3.0)
G	3.40.50.150	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Vaccinia Virus protein VP39	CATH (4.3.0)
H	3.40.50.150	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Vaccinia Virus protein VP39	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D, E A, B, C, D, E, F, G, H	PF01596	O-methyltransferase (Methyltransf_3)	O-methyltransferase	Members of this family are O-methyltransferases. The family includes catechol o-methyltransferase Swiss:P21964, caffeoyl-CoA O-methyltransferase Swiss:Q43095 and a family of bacterial O-methyltransferases that may be involved in antibiotic production ...	Members of this family are O-methyltransferases. The family includes catechol o-methyltransferase Swiss:P21964, caffeoyl-CoA O-methyltransferase Swiss:Q43095 and a family of bacterial O-methyltransferases that may be involved in antibiotic production [1].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D, E A, B, C, D, E, F, G, H	Catechol O-methyltransferase	O-methyltransferase activity transferase activity, transferring one-carbon groups catechol O-methyltransferase activity transferase activity methyltransferase activity catalytic activity S-adenosylmethionine-dependent methyltransferase activity cation binding magnesium ion binding ion binding binding metal ion binding small molecule binding	response to stimulus response to chemical response to xenobiotic stimulus multicellular organismal process system process circulatory system process regulation of blood pressure biological regulation regulation of biological quality blood circulation response to inorganic substance renal system process renal filtration behavior response to stimulus response to chemical response to xenobiotic stimulus multicellular organismal process system process circulatory system process regulation of blood pressure biological regulation regulation of biological quality blood circulation response to inorganic substance renal system process renal filtration behavior learning learning or memory nervous system process cognition exploration behavior response to organic substance methylation metabolic process monoamine transport regulation of biological process norepinephrine transport nitrogen compound transport transport secretion signaling organic substance transport export from cell cell-cell signaling organic hydroxy compound transport establishment of localization organic cation transport cell communication catecholamine secretion localization secretion by cell catecholamine transport signal release norepinephrine secretion cellular process regulation of systemic arterial blood pressure by renin-angiotensin protein localization renin secretion into blood stream regulation of systemic arterial blood pressure by hormone regulation of systemic arterial blood pressure mediated by a chemical signal establishment of protein localization cellular localization protein localization to extracellular region renal response to blood flow involved in circulatory renin-angiotensin regulation of systemic arterial blood pressure cellular macromolecule localization renal system process involved in regulation of systemic arterial blood pressure establishment of protein localization to extracellular region regulation of systemic arterial blood pressure by circulatory renin-angiotensin protein secretion regulation of systemic arterial blood pressure endocrine process protein transport macromolecule localization glycosyl compound metabolic process oxoacid metabolic process carbohydrate derivative metabolic process amino acid metabolic process organic acid metabolic process alpha-amino acid metabolic process nucleobase-containing compound metabolic process non-proteinogenic amino acid metabolic process organic substance metabolic process nucleobase-containing small molecule metabolic process small molecule metabolic process sulfur compound metabolic process purine ribonucleoside metabolic process organonitrogen compound metabolic process cellular metabolic process carboxylic acid metabolic process primary metabolic process S-adenosylhomocysteine metabolic process nucleoside metabolic process L-amino acid metabolic process cellular modified amino acid metabolic process purine-containing compound metabolic process organic cyclic compound metabolic process purine nucleoside metabolic process ribonucleoside metabolic process S-adenosylmethionine metabolic process prostaglandin metabolic process icosanoid metabolic process fatty acid metabolic process unsaturated fatty acid metabolic process prostanoid metabolic process cellular lipid metabolic process monocarboxylic acid metabolic process lipid metabolic process nonassociative learning habituation response to angiotensin response to hormone response to endogenous stimulus response to organonitrogen compound response to peptide hormone response to oxygen-containing compound response to nitrogen compound developmental process multicellular organism development artery development anatomical structure development vasculature development blood vessel development system development circulatory system development cerebellum morphogenesis cerebellar cortex morphogenesis head development hindbrain morphogenesis animal organ development brain development nervous system development cerebellar cortex development anatomical structure morphogenesis cerebellum development central nervous system development metencephalon development hindbrain development memory organonitrogen compound catabolic process catecholamine catabolic process catabolic process catechol-containing compound catabolic process organic hydroxy compound metabolic process cellular biogenic amine catabolic process catechol-containing compound metabolic process organic cyclic compound catabolic process phenol-containing compound catabolic process amine metabolic process catecholamine metabolic process organic hydroxy compound catabolic process phenol-containing compound metabolic process organic substance catabolic process biogenic amine metabolic process amine catabolic process renal absorption renal albumin absorption renal protein absorption response to toxic substance response to stress multicellular organismal response to stress fear response response to abiotic stimulus response to temperature stimulus dopamine metabolic process response to ketone response to lipid response to alcohol response to glucocorticoid response to corticosterone response to mineralocorticoid response to corticosteroid response to steroid hormone response to organic cyclic compound startle response neuromuscular process response to external stimulus detection of external stimulus detection of stimulus involved in sensory perception of pain sensory perception of temperature stimulus sensory perception of pain detection of temperature stimulus involved in sensory perception detection of abiotic stimulus detection of stimulus sensory perception detection of temperature stimulus detection of stimulus involved in sensory perception detection of temperature stimulus involved in sensory perception of pain response to salt trans-synaptic signaling chemical synaptic transmission synaptic signaling anterograde trans-synaptic signaling synaptic transmission, dopaminergic response to wounding lipid localization lipid transport cholesterol transport sterol transport cholesterol efflux negative regulation of biological process regulation of primary metabolic process regulation of dopamine metabolic process negative regulation of dopamine metabolic process regulation of amine metabolic process negative regulation of metabolic process negative regulation of catecholamine metabolic process negative regulation of amine metabolic process regulation of catecholamine metabolic process regulation of metabolic process response to decreased oxygen levels response to hypoxia response to oxygen levels glomerulus development nephron development kidney development renal system development multicellular organism growth developmental growth growth excretion renal sodium excretion sodium ion homeostasis inorganic ion homeostasis homeostatic process renal tubular secretion chemical homeostasis monoatomic ion homeostasis monoatomic cation homeostasis response to pain digestion digestive system process mastication response to estrogen multi-multicellular organism process reproductive process female pregnancy multi-organism reproductive process regulation of hormone levels steroid metabolic process hormone metabolic process estrogen metabolic process regulation of cellular process positive regulation of sulfur metabolic process sulfur amino acid metabolic process positive regulation of biological process positive regulation of cellular metabolic process positive regulation of metabolic process cellular ketone metabolic process regulation of sulfur metabolic process regulation of small molecule metabolic process regulation of homocysteine metabolic process positive regulation of amine metabolic process positive regulation of cellular process homocysteine metabolic process positive regulation of homocysteine metabolic process regulation of cellular ketone metabolic process regulation of cellular amino acid metabolic process positive regulation of sulfur amino acid metabolic process regulation of cellular metabolic process positive regulation of amino acid metabolic process positive regulation of small molecule metabolic process regulation of sulfur amino acid metabolic process negative regulation of cell population proliferation cell population proliferation regulation of smooth muscle cell proliferation smooth muscle cell proliferation negative regulation of smooth muscle cell proliferation regulation of cell population proliferation negative regulation of cellular process muscle cell proliferation response to cytokine response to light stimulus visual learning visual behavior associative learning response to radiation multicellular organismal reproductive process biosynthetic process cellular biosynthetic process organic substance biosynthetic process macromolecule metabolic process gene expression macromolecule biosynthetic process short-term memory response to dopamine response to catecholamine response to monoamine norepinephrine metabolic process cellular response to stimulus cellular response to nitrogen compound cellular response to organic cyclic compound cellular response to oxygen-containing compound response to alkaloid cellular response to endogenous stimulus cellular response to chemical stimulus cellular response to organonitrogen compound cellular response to cocaine cellular response to organic substance cellular response to alkaloid response to cocaine response to amine response to amphetamine behavioral defense response behavioral fear response defense response response to oxidative stress cellular response to nutrient levels response to nutrient levels cellular response to phosphate starvation cellular response to stress response to starvation cellular response to starvation dopamine catabolic process biological process involved in interspecies interaction between organisms 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 response to food carbohydrate metabolic process energy derivation by oxidation of organic compounds glycogen metabolic process generation of precursor metabolites and energy glucan metabolic process polysaccharide metabolic process energy reserve metabolic process dopamine secretion dopamine transport	cell periphery postsynapse postsynaptic membrane synapse cell junction membrane plasma membrane plasma membrane region cellular anatomical entity synaptic membrane intracellular anatomical structure cytoplasm cytosol somatodendritic compartment cell periphery postsynapse postsynaptic membrane synapse cell junction membrane plasma membrane plasma membrane region cellular anatomical entity synaptic membrane intracellular anatomical structure cytoplasm cytosol somatodendritic compartment cell projection dendrite dendritic tree neuron projection plasma membrane bounded cell projection glutamatergic synapse neuron spine dendritic spine axon cell body membrane-bounded organelle organelle vesicle

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D, E A, B, C, D, E, F, G, H	IPR002935	Class I-like SAM-dependent O-methyltransferase	Family
A, B, C, D, E A, B, C, D, E, F, G, H	IPR029063	S-adenosyl-L-methionine-dependent methyltransferase superfamily	Homologous Superfamily
A, B, C, D, E A, B, C, D, E, F, G, H	IPR017128	Catechol O-methyltransferase, eukaryotic	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 R01GM133198.