6WY0

CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

External Resource: Annotation

Domain Annotation: ECOD Classification
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations
Protein Modification Annotation

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
B	An_peroxidase	e6wy0B1	A: alpha complex topology	X: Heme-dependent peroxidases (From Topology)	H: Heme-dependent peroxidases (From Topology)	T: Heme-dependent peroxidases	F: An_peroxidase	ECOD (1.6)
D [auth E]	An_peroxidase	e6wy0E1	A: alpha complex topology	X: Heme-dependent peroxidases (From Topology)	H: Heme-dependent peroxidases (From Topology)	T: Heme-dependent peroxidases	F: An_peroxidase	ECOD (1.6)
F [auth G]	An_peroxidase	e6wy0G1	A: alpha complex topology	X: Heme-dependent peroxidases (From Topology)	H: Heme-dependent peroxidases (From Topology)	T: Heme-dependent peroxidases	F: An_peroxidase	ECOD (1.6)
H [auth I]	An_peroxidase	e6wy0I1	A: alpha complex topology	X: Heme-dependent peroxidases (From Topology)	H: Heme-dependent peroxidases (From Topology)	T: Heme-dependent peroxidases	F: An_peroxidase	ECOD (1.6)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
B, D [auth E], F [auth G], H [auth I]	PF03098	Animal haem peroxidase (An_peroxidase)	Animal haem peroxidase	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, C [auth D], E [auth F], G [auth H]	Myeloperoxidase light chain	peroxidase activity oxidoreductase activity antioxidant activity oxidoreductase activity, acting on peroxide as acceptor catalytic activity chromatin binding binding organic cyclic compound binding tetrapyrrole binding heme binding cation binding ion binding metal ion binding small molecule binding peroxidase activity oxidoreductase activity antioxidant activity oxidoreductase activity, acting on peroxide as acceptor catalytic activity chromatin binding binding organic cyclic compound binding tetrapyrrole binding heme binding cation binding ion binding metal ion binding small molecule binding heparin binding glycosaminoglycan binding carbohydrate derivative binding sulfur compound binding	cellular catabolic process catabolic process cellular metabolic process hydrogen peroxide metabolic process reactive oxygen species metabolic process metabolic process cellular process hydrogen peroxide catabolic process plasma lipoprotein particle organization multicellular organismal process regulation of biological process low-density lipoprotein particle remodeling protein-containing complex organization protein-containing complex remodeling cellular catabolic process catabolic process cellular metabolic process hydrogen peroxide metabolic process reactive oxygen species metabolic process metabolic process cellular process hydrogen peroxide catabolic process plasma lipoprotein particle organization multicellular organismal process regulation of biological process low-density lipoprotein particle remodeling protein-containing complex organization protein-containing complex remodeling protein-lipid complex organization biological regulation plasma lipoprotein particle remodeling regulation of plasma lipoprotein particle levels cellular component organization protein-lipid complex remodeling cellular component organization or biogenesis cellular response to stimulus response to stimulus cellular response to oxidative stress detoxification cellular response to chemical stress response to superoxide cellular oxidant detoxification cellular response to oxygen radical cellular response to reactive oxygen species cellular response to stress response to stress cellular detoxification response to oxygen-containing compound cellular response to oxygen-containing compound response to reactive oxygen species response to toxic substance removal of superoxide radicals superoxide metabolic process response to oxidative stress cellular response to chemical stimulus response to chemical cellular response to superoxide cellular response to toxic substance response to oxygen radical regulation of cellular process negative regulation of programmed cell death regulation of apoptotic process negative regulation of biological process regulation of programmed cell death cell death negative regulation of apoptotic process negative regulation of cellular process apoptotic process programmed cell death biological process involved in interspecies interaction between organisms response to other organism response to yeast response to external stimulus response to fungus response to external biotic stimulus response to biotic stimulus reactive oxygen species biosynthetic process oxoacid metabolic process small molecule biosynthetic process organic acid metabolic process biosynthetic process hypochlorous acid metabolic process hypochlorous acid biosynthetic process small molecule metabolic process defense response defense response to bacterium defense response to other organism response to bacterium response to transition metal nanoparticle response to gold nanoparticle response to mechanical stimulus response to abiotic stimulus defense response to fungus respiratory burst respiratory burst involved in defense response immune system process immune effector process response to lipid response to lipopolysaccharide response to molecule of bacterial origin response to nutrient levels response to food	extracellular exosome membrane-bounded organelle extracellular vesicle extracellular organelle extracellular region organelle extracellular space cellular anatomical entity vesicle extracellular membrane-bounded organelle intracellular organelle intracellular anatomical structure intracellular membrane-bounded organelle intracellular vesicle extracellular exosome membrane-bounded organelle extracellular vesicle extracellular organelle extracellular region organelle extracellular space cellular anatomical entity vesicle extracellular membrane-bounded organelle intracellular organelle intracellular anatomical structure intracellular membrane-bounded organelle intracellular vesicle endomembrane system cytoplasmic vesicle secretory granule secretory vesicle cytoplasm lytic vacuole membrane-enclosed lumen cytoplasmic vesicle lumen vacuolar lumen intracellular organelle lumen lysosome vesicle lumen azurophil granule vacuole secretory granule lumen azurophil granule lumen organelle lumen primary lysosome nucleus nucleoplasm nuclear lumen phagocytic vesicle lumen phagocytic vesicle endocytic vesicle lumen endocytic vesicle
B, D [auth E], F [auth G], H [auth I]	Myeloperoxidase heavy chain	peroxidase activity oxidoreductase activity antioxidant activity oxidoreductase activity, acting on peroxide as acceptor catalytic activity chromatin binding binding organic cyclic compound binding tetrapyrrole binding heme binding cation binding ion binding metal ion binding small molecule binding peroxidase activity oxidoreductase activity antioxidant activity oxidoreductase activity, acting on peroxide as acceptor catalytic activity chromatin binding binding organic cyclic compound binding tetrapyrrole binding heme binding cation binding ion binding metal ion binding small molecule binding heparin binding glycosaminoglycan binding carbohydrate derivative binding sulfur compound binding	cellular catabolic process catabolic process cellular metabolic process hydrogen peroxide metabolic process reactive oxygen species metabolic process metabolic process cellular process hydrogen peroxide catabolic process plasma lipoprotein particle organization multicellular organismal process regulation of biological process low-density lipoprotein particle remodeling protein-containing complex organization protein-containing complex remodeling cellular catabolic process catabolic process cellular metabolic process hydrogen peroxide metabolic process reactive oxygen species metabolic process metabolic process cellular process hydrogen peroxide catabolic process plasma lipoprotein particle organization multicellular organismal process regulation of biological process low-density lipoprotein particle remodeling protein-containing complex organization protein-containing complex remodeling protein-lipid complex organization biological regulation plasma lipoprotein particle remodeling regulation of plasma lipoprotein particle levels cellular component organization protein-lipid complex remodeling cellular component organization or biogenesis cellular response to stimulus response to stimulus cellular response to oxidative stress detoxification cellular response to chemical stress response to superoxide cellular oxidant detoxification cellular response to oxygen radical cellular response to reactive oxygen species cellular response to stress response to stress cellular detoxification response to oxygen-containing compound cellular response to oxygen-containing compound response to reactive oxygen species response to toxic substance removal of superoxide radicals superoxide metabolic process response to oxidative stress cellular response to chemical stimulus response to chemical cellular response to superoxide cellular response to toxic substance response to oxygen radical regulation of cellular process negative regulation of programmed cell death regulation of apoptotic process negative regulation of biological process regulation of programmed cell death cell death negative regulation of apoptotic process negative regulation of cellular process apoptotic process programmed cell death biological process involved in interspecies interaction between organisms response to other organism response to yeast response to external stimulus response to fungus response to external biotic stimulus response to biotic stimulus reactive oxygen species biosynthetic process oxoacid metabolic process small molecule biosynthetic process organic acid metabolic process biosynthetic process hypochlorous acid metabolic process hypochlorous acid biosynthetic process small molecule metabolic process defense response defense response to bacterium defense response to other organism response to bacterium response to transition metal nanoparticle response to gold nanoparticle response to mechanical stimulus response to abiotic stimulus defense response to fungus respiratory burst respiratory burst involved in defense response immune system process immune effector process response to lipid response to lipopolysaccharide response to molecule of bacterial origin response to nutrient levels response to food	extracellular exosome membrane-bounded organelle extracellular vesicle extracellular organelle extracellular region organelle extracellular space cellular anatomical entity vesicle extracellular membrane-bounded organelle intracellular organelle intracellular anatomical structure intracellular membrane-bounded organelle intracellular vesicle extracellular exosome membrane-bounded organelle extracellular vesicle extracellular organelle extracellular region organelle extracellular space cellular anatomical entity vesicle extracellular membrane-bounded organelle intracellular organelle intracellular anatomical structure intracellular membrane-bounded organelle intracellular vesicle endomembrane system cytoplasmic vesicle secretory granule secretory vesicle cytoplasm lytic vacuole membrane-enclosed lumen cytoplasmic vesicle lumen vacuolar lumen intracellular organelle lumen lysosome vesicle lumen azurophil granule vacuole secretory granule lumen azurophil granule lumen organelle lumen primary lysosome nucleus nucleoplasm nuclear lumen phagocytic vesicle lumen phagocytic vesicle endocytic vesicle lumen endocytic vesicle

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, C [auth D], E [auth F], G [auth H]	IPR019791	Haem peroxidase, animal-type	Family
A, C [auth D], E [auth F], G [auth H]	IPR037120	Haem peroxidase domain superfamily, animal type	Homologous Superfamily
A, C [auth D], E [auth F], G [auth H]	IPR050702	Peroxidase/ROS_Generation	Unknown
A, C [auth D], E [auth F], G [auth H]	IPR010255	Haem peroxidase superfamily	Homologous Superfamily
B, D [auth E], F [auth G], H [auth I]	IPR019791	Haem peroxidase, animal-type	Family
B, D [auth E], F [auth G], H [auth I]	IPR037120	Haem peroxidase domain superfamily, animal type	Homologous Superfamily
B, D [auth E], F [auth G], H [auth I]	IPR050702	Peroxidase/ROS_Generation	Unknown
B, D [auth E], F [auth G], H [auth I]	IPR010255	Haem peroxidase superfamily	Homologous Superfamily

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, C [auth D], E [auth F], G [auth H]	Pharos: P05164	myeloperoxidase deficiency Alzheimer disease colitis trichuriasis kidney disease rheumatoid arthritis major depressive disorder ulcerative colitis pancreatitis Inflammation brain ischemia keratosis alcoholic liver cirrhosis urinary bladder cancer brain disease myeloperoxidase deficiency Alzheimer disease colitis trichuriasis kidney disease rheumatoid arthritis major depressive disorder ulcerative colitis pancreatitis Inflammation brain ischemia keratosis alcoholic liver cirrhosis urinary bladder cancer brain disease prostate cancer cardiovascular disease urticaria extrahepatic cholestasis hypertensive disorder precancerous condition prostate carcinoma sarcoidosis lung benign neoplasm social phobia Alzheimer disease type 1 vasculitis osteosarcoma generalized anxiety disorder panic disorder autoimmune disease ischemia reperfusion injury cancer leprosy colorectal cancer lung disease depressive disorder lymphoplasmacytic lymphoma tuberculosis urinary bladder neoplasm obsessive-compulsive disorder gastroesophageal reflux disease hepatocellular carcinoma post-traumatic stress disorder injury brain injury burn acute kidney failure skin disease dermatitis herpetiformis dilated cardiomyopathy
B, D [auth E], F [auth G], H [auth I]	Pharos: P05164	myeloperoxidase deficiency Alzheimer disease colitis trichuriasis kidney disease rheumatoid arthritis major depressive disorder ulcerative colitis pancreatitis Inflammation brain ischemia keratosis alcoholic liver cirrhosis urinary bladder cancer brain disease myeloperoxidase deficiency Alzheimer disease colitis trichuriasis kidney disease rheumatoid arthritis major depressive disorder ulcerative colitis pancreatitis Inflammation brain ischemia keratosis alcoholic liver cirrhosis urinary bladder cancer brain disease prostate cancer cardiovascular disease urticaria extrahepatic cholestasis hypertensive disorder precancerous condition prostate carcinoma sarcoidosis lung benign neoplasm social phobia Alzheimer disease type 1 vasculitis osteosarcoma generalized anxiety disorder panic disorder autoimmune disease ischemia reperfusion injury cancer leprosy colorectal cancer lung disease depressive disorder lymphoplasmacytic lymphoma tuberculosis urinary bladder neoplasm obsessive-compulsive disorder gastroesophageal reflux disease hepatocellular carcinoma post-traumatic stress disorder injury brain injury burn acute kidney failure skin disease dermatitis herpetiformis dilated cardiomyopathy

Protein Modification Annotation

Modified Residue(s)
Chain	Residue(s)	Description
B, D [auth E], F [auth G], H [auth I]	CSO	Parent Component: CYS RESID: AA0205 PSI-MOD : L-cysteine sulfenic acid MOD:00210

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.