4ZZX

Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor

External Resource: Annotation

Domain Annotation: SCOP/SCOPe 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	d4zzxa1	All alpha proteins	Domain of poly(ADP-ribose) polymerase	Domain of poly(ADP-ribose) polymerase	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
A	d4zzxa2	Alpha and beta proteins (a+b)	ADP-ribosylation	ADP-ribosylation	Poly(ADP-ribose) polymerase, C-terminal domain	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d4zzxb1	All alpha proteins	Domain of poly(ADP-ribose) polymerase	Domain of poly(ADP-ribose) polymerase	automated matches	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d4zzxb2	Alpha and beta proteins (a+b)	ADP-ribosylation	ADP-ribosylation	Poly(ADP-ribose) polymerase, C-terminal domain	automated matches	HUMAN (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	PARP_reg	e4zzxA1	A: alpha bundles	X: Domain of poly(ADP-ribose) polymerase (From Topology)	H: Domain of poly(ADP-ribose) polymerase (From Topology)	T: Domain of poly(ADP-ribose) polymerase	F: PARP_reg	ECOD (1.6)
A	PARP	e4zzxA2	A: a+b complex topology	X: ADP-ribosylation (From Topology)	H: ADP-ribosylation (From Topology)	T: ADP-ribosylation	F: PARP	ECOD (1.6)
B	PARP_reg	e4zzxB2	A: alpha bundles	X: Domain of poly(ADP-ribose) polymerase (From Topology)	H: Domain of poly(ADP-ribose) polymerase (From Topology)	T: Domain of poly(ADP-ribose) polymerase	F: PARP_reg	ECOD (1.6)
B	PARP	e4zzxB1	A: a+b complex topology	X: ADP-ribosylation (From Topology)	H: ADP-ribosylation (From Topology)	T: ADP-ribosylation	F: PARP	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	1.20.142.10	Mainly Alpha	Up-down Bundle	Poly(ADP-ribose) Polymerase	domain 1	CATH (4.3.0)
A	3.90.228.10	Alpha Beta	Alpha-Beta Complex	Phosphoenolpyruvate Carboxykinase	domain 3	CATH (4.3.0)
B	1.20.142.10	Mainly Alpha	Up-down Bundle	Poly(ADP-ribose) Polymerase	domain 1	CATH (4.3.0)
B	3.90.228.10	Alpha Beta	Alpha-Beta Complex	Phosphoenolpyruvate Carboxykinase	domain 3	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF00644	Poly(ADP-ribose) polymerase catalytic domain (PARP)	Poly(ADP-ribose) polymerase catalytic domain	-	Family
A, B	PF02877	Poly(ADP-ribose) polymerase, regulatory domain (PARP_reg)	Poly(ADP-ribose) polymerase, regulatory domain	Poly(ADP-ribose) polymerase catalyses the covalent attachment of ADP-ribose units from NAD+ to itself and to a limited number of other DNA binding proteins, which decreases their affinity for DNA. Poly(ADP-ribose) polymerase is a regulatory component ...	Poly(ADP-ribose) polymerase catalyses the covalent attachment of ADP-ribose units from NAD+ to itself and to a limited number of other DNA binding proteins, which decreases their affinity for DNA. Poly(ADP-ribose) polymerase is a regulatory component induced by DNA damage. The carboxyl-terminal region is the most highly conserved region of the protein. Experiments have shown that a carboxyl 40 kDa fragment is still catalytically active [2].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	POLY [ADP-RIBOSE] POLYMERASE 2	pentosyltransferase activity catalytic activity, acting on a protein glycosyltransferase activity NAD+-protein ADP-ribosyltransferase activity transferase activity catalytic activity NAD+-protein poly-ADP-ribosyltransferase activity chromatin binding binding DNA binding organic cyclic compound binding damaged DNA binding nucleic acid binding NAD DNA ADP-ribosyltransferase activity pentosyltransferase activity catalytic activity, acting on a protein glycosyltransferase activity NAD+-protein ADP-ribosyltransferase activity transferase activity catalytic activity NAD+-protein poly-ADP-ribosyltransferase activity chromatin binding binding DNA binding organic cyclic compound binding damaged DNA binding nucleic acid binding NAD DNA ADP-ribosyltransferase activity NAD+-protein-aspartate ADP-ribosyltransferase activity ADP-D-ribose modification-dependent protein binding poly-ADP-D-ribose modification-dependent protein binding protein binding modification-dependent protein binding poly-ADP-D-ribose binding carbohydrate derivative binding nucleotidyltransferase activity transferase activity, transferring phosphorus-containing groups NAD+-protein-glutamate ADP-ribosyltransferase activity protein-containing complex binding nucleosome binding NAD+-protein-serine ADP-ribosyltransferase activity	cellular response to stimulus cellular response to stress response to stimulus DNA damage response response to stress cellular process nucleobase-containing compound metabolic process DNA modification macromolecule modification metabolic process primary metabolic process DNA metabolic process macromolecule metabolic process nucleic acid metabolic process cellular response to stimulus cellular response to stress response to stimulus DNA damage response response to stress cellular process nucleobase-containing compound metabolic process DNA modification macromolecule modification metabolic process primary metabolic process DNA metabolic process macromolecule metabolic process nucleic acid metabolic process DNA ADP-ribosylation neuron apoptotic process hippocampal neuron apoptotic process apoptotic process cell death programmed cell death DNA repair-dependent chromatin remodeling cellular component organization chromatin organization chromatin remodeling cellular component organization or biogenesis regulation of biological process regulation of cellular process cell surface receptor signaling pathway signaling biological regulation extrinsic apoptotic signaling pathway cell communication apoptotic signaling pathway signal transduction response to decreased oxygen levels response to nutrient levels response to oxygen levels response to abiotic stimulus response to oxygen-glucose deprivation DNA repair developmental process multi-multicellular organism process multicellular organismal process placenta development reproductive process maternal process involved in female pregnancy multicellular organismal reproductive process animal organ development developmental process involved in reproduction tissue development maternal placenta development anatomical structure development female pregnancy multi-organism reproductive process decidualization base-excision repair regulation of growth system process regulation of cardiac muscle tissue growth developmental growth regulation of system process regulation of cell differentiation muscle cell differentiation regulation of muscle hypertrophy muscle structure development positive regulation of developmental process multicellular organism development muscle adaptation cell differentiation regulation of organ growth regulation of heart growth cardiac muscle tissue growth muscle tissue development cardiac cell development positive regulation of developmental growth positive regulation of heart growth system development heart growth positive regulation of organ growth striated muscle hypertrophy positive regulation of muscle cell differentiation regulation of muscle cell differentiation regulation of response to stimulus positive regulation of muscle hypertrophy positive regulation of cardiac muscle tissue growth positive regulation of multicellular organismal process positive regulation of cell growth involved in cardiac muscle cell development striated muscle cell differentiation regulation of cellular component organization cellular developmental process regulation of developmental process cardiac muscle cell development positive regulation of cardiac muscle hypertrophy positive regulation of biological process cell development regulation of striated muscle cell differentiation organ growth cell growth striated muscle tissue development striated muscle cell development muscle cell development positive regulation of cell differentiation positive regulation of striated muscle cell differentiation cardiac muscle hypertrophy regulation of multicellular organismal process positive regulation of cellular process muscle hypertrophy regulation of muscle adaptation heart development regulation of multicellular organismal development regulation of developmental growth cardiac muscle tissue development developmental cell growth physiological muscle hypertrophy growth cardiac muscle cell differentiation regulation of cell growth involved in cardiac muscle cell development positive regulation of cell growth regulation of cell growth muscle system process regulation of muscle system process cardiocyte differentiation regulation of cardiac muscle hypertrophy circulatory system development cell growth involved in cardiac muscle cell development positive regulation of growth physiological cardiac muscle hypertrophy double-strand break repair protein poly-ADP-ribosylation protein metabolic process post-translational protein modification protein modification process protein auto-ADP-ribosylation	membrane-bounded organelle intracellular anatomical structure nucleus membrane-enclosed lumen intracellular membrane-bounded organelle cellular anatomical entity nucleolus intracellular organelle lumen intracellular organelle organelle lumen organelle intracellular non-membrane-bounded organelle nuclear lumen non-membrane-bounded organelle membrane-bounded organelle intracellular anatomical structure nucleus membrane-enclosed lumen intracellular membrane-bounded organelle cellular anatomical entity nucleolus intracellular organelle lumen intracellular organelle organelle lumen organelle intracellular non-membrane-bounded organelle nuclear lumen non-membrane-bounded organelle nucleoplasm site of DNA damage chromosome

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR012317	Poly(ADP-ribose) polymerase, catalytic domain	Domain
A, B	IPR050800	ADP-ribosyltransferase diphtheria toxin-like	Family
A, B	IPR036616	Poly(ADP-ribose) polymerase, regulatory domain superfamily	Homologous Superfamily
A, B	IPR036930	WGR domain superfamily	Homologous Superfamily
A, B	IPR004102	Poly(ADP-ribose) polymerase, regulatory domain	Domain
A, B	IPR008893	WGR domain	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: Q9UGN5	lipodystrophy ovarian cancer atypical teratoid rhabdoid tumor glioblastoma large cell medulloblastoma Malignant epithelial tumor of ovary peripheral neuropathy Takayasu arteritis malignant glioma ovarian epithelial tumor psoriasis lung cancer peripheral nervous system disease subependymal giant cell astrocytoma

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.