6DWN

Structure of Human Cytochrome P450 1A1 with Erlotinib

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)
A	d6dwna_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d6dwnb_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D	d6dwnd_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d6dwnc_	All alpha proteins	Cytochrome P450	Cytochrome P450	automated matches	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)
A	SCOP2B Superfamily	Cytochrome P450	8068651	3001061	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Cytochrome P450	8068651	3001061	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Cytochrome P450	8068651	3001061	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Cytochrome P450	8068651	3001061	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	p450	e6dwnA1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
B	p450	e6dwnB1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
D	p450	e6dwnD1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)
C	p450	e6dwnC1	A: alpha arrays	X: Cytochrome P450 (From Topology)	H: Cytochrome P450 (From Topology)	T: Cytochrome P450	F: p450	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
B	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
D	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)
C	1.10.630.10	Mainly Alpha	Orthogonal Bundle	Cytochrome p450	Cytochrome P450	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF00067	Cytochrome P450 (p450)	Cytochrome P450	Cytochrome P450s are haem-thiolate proteins [6] involved in the oxidative degradation of various compounds. They are particularly well known for their role in the degradation of environmental toxins and mutagens. They can be divided into 4 classes, a ...	Cytochrome P450s are haem-thiolate proteins [6] involved in the oxidative degradation of various compounds. They are particularly well known for their role in the degradation of environmental toxins and mutagens. They can be divided into 4 classes, according to the method by which electrons from NAD(P)H are delivered to the catalytic site. Sequence conservation is relatively low within the family - there are only 3 absolutely conserved residues - but their general topography and structural fold are highly conserved. The conserved core is composed of a coil termed the 'meander', a four-helix bundle, helices J and K, and two sets of beta-sheets. These constitute the haem-binding loop (with an absolutely conserved cysteine that serves as the 5th ligand for the haem iron), the proton-transfer groove and the absolutely conserved EXXR motif in helix K. While prokaryotic P450s are soluble proteins, most eukaryotic P450s are associated with microsomal membranes. their general enzymatic function is to catalyse regiospecific and stereospecific oxidation of non-activated hydrocarbons at physiological temperatures [6].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	Cytochrome P450 1A1	vitamin D 24-hydroxylase activity monooxygenase activity oxidoreductase activity catalytic activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen fatty acid omega-hydroxylase activity long-chain fatty acid omega-hydroxylase activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen aromatase activity arachidonate monooxygenase activity demethylase activity cation binding transition metal ion binding iron ion binding vitamin D 24-hydroxylase activity monooxygenase activity oxidoreductase activity catalytic activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen fatty acid omega-hydroxylase activity long-chain fatty acid omega-hydroxylase activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen aromatase activity arachidonate monooxygenase activity demethylase activity cation binding transition metal ion binding iron ion binding ion binding binding metal ion binding small molecule binding long-chain fatty acid omega-1 hydroxylase activity fatty acid omega-1 hydroxylase activity flavonoid 3'-monooxygenase 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 estrogen 16-alpha-hydroxylase activity steroid hydroxylase activity Hsp90 protein binding protein binding heat shock protein binding oxidoreductase activity, acting on diphenols and related substances as donors Hsp70 protein binding protein-folding chaperone binding oxygen binding estrogen 2-hydroxylase activity hydroperoxy icosatetraenoate dehydratase activity hydro-lyase activity lyase activity carbon-oxygen lyase activity organic cyclic compound binding tetrapyrrole binding heme binding enzyme binding	lipid modification primary metabolic process metabolic process cellular process lipid hydroxylation lipid metabolic process icosanoid metabolic process fatty acid metabolic process long-chain fatty acid metabolic process unsaturated fatty acid metabolic process epoxygenase P450 pathway oxoacid metabolic process arachidonate metabolic process carboxylic acid metabolic process lipid modification primary metabolic process metabolic process cellular process lipid hydroxylation lipid metabolic process icosanoid metabolic process fatty acid metabolic process long-chain fatty acid metabolic process unsaturated fatty acid metabolic process epoxygenase P450 pathway oxoacid metabolic process arachidonate metabolic process carboxylic acid metabolic process organic acid metabolic process olefinic compound metabolic process small molecule metabolic process monocarboxylic acid metabolic process cellular response to stimulus catabolic process response to stimulus cellular response to xenobiotic stimulus xenobiotic catabolic process xenobiotic metabolic process response to xenobiotic stimulus cellular response to chemical stimulus dibenzo-p-dioxin catabolic process response to chemical dibenzo-p-dioxin metabolic process small molecule catabolic process biological process involved in interspecies interaction between organisms response to other organism response to external stimulus response to external biotic stimulus response to nematode response to biotic stimulus amine metabolic process response to nutrient levels response to lipid response to nutrient response to vitamin A response to vitamin regulation of cell cycle phase transition regulation of cellular process positive regulation of biological process cell cycle phase transition regulation of cell cycle G1/S phase transition cell cycle G1/S phase transition mitotic cell cycle regulation of mitotic cell cycle positive regulation of mitotic cell cycle phase transition positive regulation of cell cycle process positive regulation of mitotic cell cycle cell cycle regulation of cell cycle positive regulation of cellular process cell cycle process positive regulation of G1/S transition of mitotic cell cycle regulation of biological process regulation of cell cycle process biological regulation positive regulation of cell cycle regulation of mitotic cell cycle phase transition positive regulation of cell cycle G1/S phase transition mitotic cell cycle process regulation of G1/S transition of mitotic cell cycle positive regulation of cell cycle phase transition G1/S transition of mitotic cell cycle mitotic cell cycle phase transition flavonoid metabolic process developmental process multicellular organismal process epithelium development cellular developmental process gland development animal organ development tissue development liver development epithelial cell differentiation multicellular organism development cell differentiation hepaticobiliary system development anatomical structure development hepatocyte differentiation system development response to decreased oxygen levels response to hypoxia response to stress response to oxygen levels response to abiotic stimulus reactive oxygen species biosynthetic process biosynthetic process reactive oxygen species metabolic process hydrogen peroxide metabolic process hydrogen peroxide biosynthetic process tetrapyrrole metabolic process porphyrin-containing compound metabolic process response to polycyclic arene response to 3-methylcholanthrene response to organic cyclic compound response to arsenic-containing substance cellular response to organic cyclic compound diterpenoid metabolic process regulation of hormone levels organic hydroxy compound metabolic process alcohol metabolic process hormone metabolic process retinoid metabolic process regulation of biological quality retinol metabolic process terpenoid metabolic process isoprenoid metabolic process primary alcohol metabolic process multi-multicellular organism process maternal process involved in parturition reproductive process multicellular organismal reproductive process parturition multi-organism reproductive process nitric oxide metabolic process reactive nitrogen species metabolic process steroid metabolic process lipid biosynthetic process steroid biosynthetic process sensory organ development eye development visual system development camera-type eye development sensory system development phenylpropanoid metabolic process coumarin metabolic process secondary metabolic process estrogen metabolic process digestive system development tube development digestive tract development organic acid biosynthetic process terpenoid biosynthetic process carboxylic acid biosynthetic process retinoic acid metabolic process monocarboxylic acid biosynthetic process small molecule biosynthetic process isoprenoid biosynthetic process 9-cis-retinoic acid metabolic process diterpenoid biosynthetic process retinoic acid biosynthetic process 9-cis-retinoic acid biosynthetic process tissue remodeling response to iron(III) ion response to metal ion response to iron ion alkene metabolic process ethylene metabolic process olefin metabolic process hydrocarbon metabolic process response to copper ion cellular response to metal ion cellular response to copper ion response to immobilization stress response to herbicide response to toxic substance insecticide metabolic process response to insecticide toxin metabolic process omega-hydroxylase P450 pathway fat-soluble vitamin metabolic process vitamin D metabolic process vitamin metabolic process long-chain fatty acid biosynthetic process fatty acid biosynthetic process response to oxygen-containing compound response to lipopolysaccharide response to bacterium response to molecule of bacterial origin response to food response to hyperoxia response to increased oxygen levels	membrane-bounded organelle mitochondrial membrane intracellular anatomical structure organelle inner membrane mitochondrion membrane intracellular membrane-bounded organelle mitochondrial inner membrane intracellular organelle organelle envelope cellular anatomical structure mitochondrial envelope organelle cytoplasm membrane-bounded organelle mitochondrial membrane intracellular anatomical structure organelle inner membrane mitochondrion membrane intracellular membrane-bounded organelle mitochondrial inner membrane intracellular organelle organelle envelope cellular anatomical structure mitochondrial envelope organelle cytoplasm organelle membrane organelle subcompartment endomembrane system endoplasmic reticulum subcompartment nuclear outer membrane-endoplasmic reticulum membrane network endoplasmic reticulum endoplasmic reticulum membrane

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR002401	Cytochrome P450, E-class, group I	Family
A, B, C, D	IPR017972	Cytochrome P450, conserved site	Conserved Site
A, B, C, D	IPR001128	Cytochrome P450	Family
A, B, C, D	IPR036396	Cytochrome P450 superfamily	Homologous Superfamily
A, B, C, D	IPR008066	Cytochrome P450, E-class, group I, CYP1	Family

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C, D	Pharos: P04798	hypertensive disorder allergic disease long QT syndrome Birth Weight breast carcinoma contact dermatitis hamartoma prostate cancer allergic contact dermatitis arteritis male infertility chronic obstructive pulmonary disease systemic sclerosis gastric carcinoma hepatocellular carcinoma hypertensive disorder allergic disease long QT syndrome Birth Weight breast carcinoma contact dermatitis hamartoma prostate cancer allergic contact dermatitis arteritis male infertility chronic obstructive pulmonary disease systemic sclerosis gastric carcinoma hepatocellular carcinoma kidney cancer psoriasis kidney neoplasm cancer celiac disease tuberculosis head and neck cancer interstitial cystitis breast cancer peripheral vascular disease

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.