3HOK | pdb_00003hok

X-ray Crystal Structure of Human Heme Oxygenase-1 with (2R, 4S)-2-[2-(4-Chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-4[((5-trifluoromethylpyridin-2-yl)thio)methyl]-1,3-dioxolane: A Novel, Inducible Binding Mode

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	d3hoka_	All alpha proteins	Heme oxygenase-like	Heme oxygenase-like	Eukaryotic type heme oxygenase	Heme oxygenase-1 (HO-1)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d3hokb_	All alpha proteins	Heme oxygenase-like	Heme oxygenase-like	Eukaryotic type heme oxygenase	Heme oxygenase-1 (HO-1)	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	Heme oxygenase-like	8044057	3001676	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Heme oxygenase-like	8044057	3001676	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	Heme_oxygenase	e3hokA1	A: alpha bundles	X: Ferritin/Heme oxygenase/4-helical cytokines	H: Ferritin/Heme oxygenase	T: Heme oxygenase/Ribonucleotide reductase	F: Heme_oxygenase	ECOD (1.6)
B	Heme_oxygenase	e3hokB1	A: alpha bundles	X: Ferritin/Heme oxygenase/4-helical cytokines	H: Ferritin/Heme oxygenase	T: Heme oxygenase/Ribonucleotide reductase	F: Heme_oxygenase	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	1.20.910.10	Mainly Alpha	Up-down Bundle	Heme Oxygenase	Chain A	CATH (4.3.0)
B	1.20.910.10	Mainly Alpha	Up-down Bundle	Heme Oxygenase	Chain A	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF01126	Heme oxygenase (Heme_oxygenase)	Heme oxygenase		Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	Heme oxygenase 1	cation binding ion binding binding metal ion binding small molecule binding identical protein binding protein binding oxidoreductase activity monooxygenase activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen heme oxygenase (decyclizing) activity catalytic 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 protein homodimerization activity cation binding ion binding binding metal ion binding small molecule binding identical protein binding protein binding oxidoreductase activity monooxygenase activity oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen heme oxygenase (decyclizing) activity catalytic 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 protein homodimerization activity protein dimerization activity tetrapyrrole binding heme binding structural molecule activity enzyme binding	intracellular iron ion homeostasis inorganic ion homeostasis cellular homeostasis chemical homeostasis homeostatic process intracellular monoatomic cation homeostasis monoatomic ion homeostasis intracellular chemical homeostasis monoatomic cation homeostasis intracellular monoatomic ion homeostasis developmental process multicellular organismal process regulation of multicellular organismal development regulation of biological process intracellular iron ion homeostasis inorganic ion homeostasis cellular homeostasis chemical homeostasis homeostatic process intracellular monoatomic cation homeostasis monoatomic ion homeostasis intracellular chemical homeostasis monoatomic cation homeostasis intracellular monoatomic ion homeostasis developmental process multicellular organismal process regulation of multicellular organismal development regulation of biological process regulation of developmental process blood vessel morphogenesis tube development biological regulation angiogenesis vasculature development regulation of vasculature development circulatory system development anatomical structure morphogenesis multicellular organism development tube morphogenesis regulation of angiogenesis anatomical structure formation involved in morphogenesis anatomical structure development regulation of multicellular organismal process regulation of anatomical structure morphogenesis blood vessel development system development heme metabolic process pigment metabolic process catabolic process heme oxidation tetrapyrrole metabolic process porphyrin-containing compound catabolic process metabolic process cellular process porphyrin-containing compound metabolic process tetrapyrrole catabolic process positive regulation of epithelial cell apoptotic process positive regulation of programmed cell death regulation of cellular process regulation of epithelial cell apoptotic process regulation of apoptotic process positive regulation of biological process regulation of programmed cell death cell death positive regulation of apoptotic process epithelial cell apoptotic process apoptotic process programmed cell death positive regulation of cellular process regulation of blood vessel endothelial cell proliferation involved in sprouting angiogenesis positive regulation of cell population proliferation endothelial cell proliferation positive regulation of endothelial cell proliferation epithelial cell proliferation positive regulation of blood vessel endothelial cell proliferation involved in sprouting angiogenesis cell population proliferation blood vessel endothelial cell proliferation involved in sprouting angiogenesis positive regulation of epithelial cell proliferation sprouting angiogenesis regulation of endothelial cell proliferation regulation of cell population proliferation regulation of epithelial cell proliferation cellular response to stimulus cellular response to heat response to stimulus cellular response to stress response to stress response to heat response to abiotic stimulus response to temperature stimulus extrinsic apoptotic signaling pathway via death domain receptors signaling negative regulation of signaling negative regulation of biological process regulation of signal transduction extrinsic apoptotic signaling pathway negative regulation of cell communication cell communication negative regulation of extrinsic apoptotic signaling pathway negative regulation of apoptotic signaling pathway negative regulation of cellular process signal transduction regulation of signaling cell surface receptor signaling pathway negative regulation of response to stimulus negative regulation of programmed cell death negative regulation of extrinsic apoptotic signaling pathway via death domain receptors 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 regulation of apoptotic signaling pathway multicellular organismal-level iron ion homeostasis multicellular organismal-level homeostasis multicellular organismal-level chemical homeostasis positive regulation of macromolecule biosynthetic process positive regulation of metabolic process positive regulation of biosynthetic process regulation of cytokine production cytokine production positive regulation of macromolecule metabolic process regulation of biosynthetic process regulation of macromolecule metabolic process gene expression macromolecule biosynthetic process regulation of chemokine production regulation of gene expression biosynthetic process positive regulation of gene expression chemokine production positive regulation of chemokine production positive regulation of multicellular organismal process regulation of macromolecule biosynthetic process macromolecule metabolic process positive regulation of cytokine production regulation of metabolic process wound healing wound healing involved in inflammatory response defense response inflammatory response to wounding inflammatory response response to wounding pigment catabolic process heme catabolic process cellular response to arsenic-containing substance cellular response to chemical stimulus response to chemical response to arsenic-containing substance regulation of smooth muscle cell proliferation smooth muscle cell proliferation positive regulation of smooth muscle cell proliferation muscle cell proliferation negative regulation of locomotion regulation of cell motility regulation of leukocyte migration leukocyte migration negative regulation of leukocyte migration negative regulation of immune system process immune system process regulation of locomotion regulation of cell migration negative regulation of cell motility cell migration regulation of immune system process cell motility negative regulation of cell migration locomotion cellular response to metal ion response to metal ion cellular response to cadmium ion response to cadmium ion response to hydrogen peroxide response to oxidative stress response to oxygen-containing compound response to reactive oxygen species positive regulation of locomotion cell migration involved in sprouting angiogenesis regulation of blood vessel endothelial cell migration endothelial cell migration positive regulation of cell migration positive regulation of cell motility blood vessel endothelial cell migration regulation of endothelial cell migration positive regulation of cell migration involved in sprouting angiogenesis regulation of cell migration involved in sprouting angiogenesis positive regulation of blood vessel endothelial cell migration positive regulation of endothelial cell migration positive regulation of cell communication positive regulation of signal transduction positive regulation of canonical NF-kappaB signal transduction intracellular signal transduction positive regulation of response to stimulus regulation of intracellular signal transduction intracellular signaling cassette positive regulation of intracellular signal transduction canonical NF-kappaB signal transduction regulation of canonical NF-kappaB signal transduction positive regulation of signaling response to cisplatin cellular response to cisplatin homeostasis of number of cells myeloid cell homeostasis erythrocyte homeostasis negative regulation of cell population proliferation negative regulation of smooth muscle cell proliferation negative regulation of catabolic process macroautophagy negative regulation of metabolic process autophagy regulation of catabolic process regulation of autophagy negative regulation of macroautophagy regulation of macroautophagy negative regulation of autophagy process utilizing autophagic mechanism negative regulation of ferroptosis regulation of ferroptosis ferroptosis positive regulation of autophagy positive regulation of catabolic process positive regulation of macroautophagy positive regulation of developmental process positive regulation of angiogenesis positive regulation of vasculature development RNA metabolic process regulation of primary metabolic 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 regulation of nucleobase-containing compound metabolic process regulation of RNA biosynthetic process regulation of transcription by RNA polymerase II primary metabolic process nucleobase-containing compound biosynthetic process nucleic acid metabolic process regulation of DNA-templated transcription response to nicotine system process smooth muscle hyperplasia muscle adaptation smooth muscle adaptation muscle hyperplasia muscle system process plasma lipoprotein particle clearance low-density lipoprotein particle clearance regulation of plasma lipoprotein particle levels regulation of cytokine production involved in inflammatory response negative regulation of cytokine production involved in inflammatory response negative regulation of macromolecule metabolic process production of molecular mediator involved in inflammatory response negative regulation of cytokine production cytokine production involved in inflammatory response negative regulation of gene expression negative regulation of biosynthetic process negative regulation of macromolecule biosynthetic process negative regulation of multicellular organismal process	cellular anatomical structure membrane intracellular anatomical structure cytoplasm cytosol perinuclear region of cytoplasm membrane-bounded organelle mitochondrial membrane mitochondrion organelle outer membrane intracellular membrane-bounded organelle intracellular organelle organelle envelope bounding membrane of organelle cellular anatomical structure membrane intracellular anatomical structure cytoplasm cytosol perinuclear region of cytoplasm membrane-bounded organelle mitochondrial membrane mitochondrion organelle outer membrane intracellular membrane-bounded organelle intracellular organelle organelle envelope bounding membrane of organelle organelle mitochondrial envelope mitochondrial outer membrane outer membrane organelle membrane extracellular region extracellular space nucleus membrane-enclosed lumen intracellular organelle lumen nucleoplasm organelle lumen nuclear lumen 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	IPR002051	Haem oxygenase	Family
A, B	IPR016084	Haem oxygenase-like, multi-helical	Homologous Superfamily
A, B	IPR018207	Haem oxygenase conserved site	Conserved Site
A, B	IPR016053	Haem oxygenase-like	Family

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: P09601	heme oxygenase 1 deficiency systemic mastocytosis hepatorenal syndrome congestive heart failure spinocerebellar ataxia type 17 hypertensive disorder status epilepticus adrenoleukodystrophy pulmonary emphysema Alzheimer disease hepatitis breast cancer liver cancer Diabetes Mellitus, Experimental type 2 diabetes mellitus heme oxygenase 1 deficiency systemic mastocytosis hepatorenal syndrome congestive heart failure spinocerebellar ataxia type 17 hypertensive disorder status epilepticus adrenoleukodystrophy pulmonary emphysema Alzheimer disease hepatitis breast cancer liver cancer Diabetes Mellitus, Experimental type 2 diabetes mellitus hyperplasia visceral leishmaniasis pneumonia preeclampsia aggressive systemic mastocytosis pulmonary fibrosis colitis retinal disease iron metabolism disease neurodegenerative disease breast carcinoma ulcerative colitis chronic kidney disease gastroparesis contact dermatitis asthma obesity disorder hemolytic anemia liver disease diabetic peripheral angiopathy Parkinson disease hyperinsulinism carotid artery disease indolent systemic mastocytosis prostate cancer coronary artery disease atherosclerosis ovarian cancer lung benign neoplasm IgA glomerulonephritis cerebrovascular disorder malignant glioma adrenomyeloneuropathy gastric neoplasm interstitial cystitis glioblastoma myocardial ischemia ischemic disease COPD, severe early onset Crohn disease non-small cell lung carcinoma blood coagulation disease toxic encephalopathy pancreatic ductal adenocarcinoma hereditary diffuse gastric adenocarcinoma liver neoplasm pilocytic astrocytoma lung cancer drug-induced liver injury acute kidney failure pneumonitis inborn carbohydrate metabolic disorder adenoma injury malignant mesothelioma psoriasis chronic obstructive pulmonary disease intracerebral hemorrhage schizophrenia myopathy kidney disease subependymal giant cell astrocytoma learning disability cystic fibrosis thrombotic disease pancreas disease cancer plasma cell myeloma idiopathic interstitial pneumonia lung carcinoma malignant ependymoma gastric cancer maturity-onset diabetes of the young genetic endocrine growth disease ischemia reperfusion injury heart failure

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.