1G73 | pdb_00001g73

CRYSTAL STRUCTURE OF SMAC BOUND TO XIAP-BIR3 DOMAIN

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	d1g73a_	All alpha proteins	Spectrin repeat-like	Smac/diablo	Smac/diablo	Smac/diablo	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d1g73b_	All alpha proteins	Spectrin repeat-like	Smac/diablo	Smac/diablo	Smac/diablo	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d1g73c_	Small proteins	Inhibitor of apoptosis (IAP) repeat	Inhibitor of apoptosis (IAP) repeat	Inhibitor of apoptosis (IAP) repeat	BIR domains of XIAP	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D	d1g73d_	Small proteins	Inhibitor of apoptosis (IAP) repeat	Inhibitor of apoptosis (IAP) repeat	Inhibitor of apoptosis (IAP) repeat	BIR domains of XIAP	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	SCOP2 Family	Smac/diablo	8024333	4000781	SCOP2 (2022-06-29)
A	SCOP2 Superfamily	Smac/diablo	8036712	3001344	SCOP2 (2022-06-29)
B	SCOP2B Superfamily	Smac/diablo	8036712	3001344	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Inhibitor of apoptosis (IAP) repeat	8037741	3001510	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Inhibitor of apoptosis (IAP) repeat	8037741	3001510	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	Smac_DIABLO	e1g73A1	A: alpha bundles	X: Spectrin repeat-like	H: Smac/diablo (From Topology)	T: Smac/diablo	F: Smac_DIABLO	ECOD (1.6)
B	Smac_DIABLO	e1g73B1	A: alpha bundles	X: Spectrin repeat-like	H: Smac/diablo (From Topology)	T: Smac/diablo	F: Smac_DIABLO	ECOD (1.6)
C	BIR	e1g73C1	A: few secondary structure elements	X: Inhibitor of apoptosis (IAP) repeat (From Topology)	H: Inhibitor of apoptosis (IAP) repeat (From Topology)	T: Inhibitor of apoptosis (IAP) repeat	F: BIR	ECOD (1.6)
D	BIR	e1g73D1	A: few secondary structure elements	X: Inhibitor of apoptosis (IAP) repeat (From Topology)	H: Inhibitor of apoptosis (IAP) repeat (From Topology)	T: Inhibitor of apoptosis (IAP) repeat	F: BIR	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	1.20.58.70	Mainly Alpha	Up-down Bundle	Methane Monooxygenase Hydroxylase	Chain G, domain 1	CATH (4.3.0)
B	1.20.58.70	Mainly Alpha	Up-down Bundle	Methane Monooxygenase Hydroxylase	Chain G, domain 1	CATH (4.3.0)
C	1.10.1170.10	Mainly Alpha	Orthogonal Bundle	Inhibitor Of Apoptosis Protein (2mihbC-IAP-1)	Chain A	CATH (4.3.0)
D	1.10.1170.10	Mainly Alpha	Orthogonal Bundle	Inhibitor Of Apoptosis Protein (2mihbC-IAP-1)	Chain A	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF09057	Second Mitochondria-derived Activator of Caspases (Smac_DIABLO)	Second Mitochondria-derived Activator of Caspases	Second Mitochondria-derived Activator of Caspases promotes apoptosis by activating caspases in the cytochrome c/Apaf-1/caspase-9 pathway, and by opposing the inhibitory activity of inhibitor of apoptosis proteins (XIAP-BIR3). The protein assumes an e ...	Second Mitochondria-derived Activator of Caspases promotes apoptosis by activating caspases in the cytochrome c/Apaf-1/caspase-9 pathway, and by opposing the inhibitory activity of inhibitor of apoptosis proteins (XIAP-BIR3). The protein assumes an elongated three-helix bundle structure, and forms a dimer in solution [1].	Domain
C, D	PF00653	Inhibitor of Apoptosis domain (BIR)	Inhibitor of Apoptosis domain	BIR stands for 'Baculovirus Inhibitor of apoptosis protein Repeat'. It is found repeated in inhibitor of apoptosis proteins (IAPs), and in fact it is also known as IAP repeat. These domains characteristically have a number of invariant residues, incl ...	BIR stands for 'Baculovirus Inhibitor of apoptosis protein Repeat'. It is found repeated in inhibitor of apoptosis proteins (IAPs), and in fact it is also known as IAP repeat. These domains characteristically have a number of invariant residues, including 3 conserved cysteines and one conserved histidine that coordinate a zinc ion. They are usually made up of 4-5 alpha helices and a three-stranded beta-sheet. BIR is also found in other proteins known as BIR-domain-containing proteins (BIRPs), such as Survivin (Swiss:O15392) [2].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	SECOND MITOCHONDRIA-DERIVED ACTIVATOR OF CASPASES	-	neuron apoptotic process cellular process apoptotic process cell death programmed cell death cellular response to stimulus regulation of biological process regulation of cellular process response to stimulus signaling biological regulation intracellular signal transduction cell communication apoptotic signaling pathway neuron apoptotic process cellular process apoptotic process cell death programmed cell death cellular response to stimulus regulation of biological process regulation of cellular process response to stimulus signaling biological regulation intracellular signal transduction cell communication apoptotic signaling pathway signal transduction intrinsic apoptotic signaling pathway positive regulation of programmed cell death regulation of apoptotic process positive regulation of biological process regulation of programmed cell death positive regulation of apoptotic process positive regulation of cellular process intrinsic apoptotic signaling pathway in response to oxidative stress extrinsic apoptotic signaling pathway via death domain receptors cell surface receptor signaling pathway extrinsic apoptotic signaling pathway	membrane-bounded organelle intracellular organelle cellular anatomical structure intracellular anatomical structure mitochondrion organelle cytoplasm intracellular membrane-bounded organelle cell periphery protein-containing complex plasma membrane protein complex membrane plasma membrane plasma membrane signaling receptor complex membrane-bounded organelle intracellular organelle cellular anatomical structure intracellular anatomical structure mitochondrion organelle cytoplasm intracellular membrane-bounded organelle cell periphery protein-containing complex plasma membrane protein complex membrane plasma membrane plasma membrane signaling receptor complex membrane protein complex CD40 receptor complex receptor complex cytosol cytoplasmic side of plasma membrane cytoplasmic side of membrane side of membrane mitochondrial intermembrane space membrane-enclosed lumen intracellular organelle lumen organelle envelope lumen organelle envelope organelle lumen mitochondrial envelope
C, D	INHIBITORS OF APOPTOSIS-LIKE PROTEIN ILP	enzyme regulator activity peptidase activity peptidase regulator activity catalytic activity, acting on a protein hydrolase activity enzyme inhibitor activity cysteine-type endopeptidase inhibitor activity peptidase inhibitor activity endopeptidase regulator activity endopeptidase inhibitor activity cysteine-type peptidase activity molecular function inhibitor activity molecular function regulator activity cysteine-type endopeptidase activity catalytic activity enzyme regulator activity peptidase activity peptidase regulator activity catalytic activity, acting on a protein hydrolase activity enzyme inhibitor activity cysteine-type endopeptidase inhibitor activity peptidase inhibitor activity endopeptidase regulator activity endopeptidase inhibitor activity cysteine-type peptidase activity molecular function inhibitor activity molecular function regulator activity cysteine-type endopeptidase activity catalytic activity endopeptidase activity aminoacyltransferase activity ubiquitin-like protein transferase activity acyltransferase activity ubiquitin-like protein ligase activity ubiquitin protein ligase activity transferase activity ubiquitin-protein transferase activity cysteine-type endopeptidase inhibitor activity involved in apoptotic process cysteine-type endopeptidase regulator activity involved in apoptotic process protein binding binding protein serine/threonine kinase binding kinase binding enzyme binding protein kinase binding cation binding ion binding metal ion binding small molecule binding identical protein binding	cellular response to stimulus cellular response to stress response to stimulus DNA damage response response to stress cellular process positive regulation of cell communication regulation of cellular process positive regulation of signal transduction positive regulation of canonical NF-kappaB signal transduction signaling positive regulation of biological process regulation of signal transduction intracellular signal transduction cellular response to stimulus cellular response to stress response to stimulus DNA damage response response to stress cellular process positive regulation of cell communication regulation of cellular process positive regulation of signal transduction positive regulation of canonical NF-kappaB signal transduction signaling positive regulation of biological process regulation of signal transduction intracellular signal transduction cell communication positive regulation of response to stimulus regulation of intracellular signal transduction intracellular signaling cassette signal transduction positive regulation of cellular process regulation of biological process regulation of signaling biological regulation positive regulation of intracellular signal transduction canonical NF-kappaB signal transduction regulation of response to stimulus regulation of cell communication regulation of canonical NF-kappaB signal transduction positive regulation of signaling 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 positive regulation of response to biotic stimulus pattern recognition receptor signaling pathway response to biotic stimulus immune response-activating signaling pathway positive regulation of immune response regulation of immune system process positive regulation of immune system process innate immune response-activating signaling pathway immune response response to other organism regulation of innate immune response response to external stimulus defense response to other organism regulation of pattern recognition receptor signaling pathway positive regulation of defense response activation of innate immune response regulation of immune response activation of immune response cytoplasmic pattern recognition receptor signaling pathway regulation of defense response regulation of response to biotic stimulus biological process involved in interspecies interaction between organisms regulation of response to external stimulus intracellular receptor signaling pathway regulation of cytoplasmic pattern recognition receptor signaling pathway positive regulation of response to external stimulus immune response-regulating signaling pathway regulation of response to stress innate immune response response to external biotic stimulus nucleotide-binding domain, leucine rich repeat containing receptor signaling pathway positive regulation of innate immune response defense response regulation of nucleotide-binding domain, leucine rich repeat containing receptor signaling pathway defense response to symbiont immune system process nucleotide-binding oligomerization domain containing 1 signaling pathway regulation of protein modification process positive regulation of protein metabolic process regulation of protein ubiquitination positive regulation of post-translational protein modification regulation of primary metabolic process positive regulation of metabolic process positive regulation of protein modification process protein ubiquitination positive regulation of macromolecule metabolic process protein metabolic process regulation of protein modification by small protein conjugation or removal protein modification process positive regulation of protein modification by small protein conjugation or removal positive regulation of protein ubiquitination regulation of post-translational protein modification regulation of protein metabolic process primary metabolic process regulation of macromolecule metabolic process macromolecule modification metabolic process macromolecule metabolic process post-translational protein modification regulation of metabolic process protein modification by small protein conjugation protein modification by small protein conjugation or removal defense response to bacterium response to bacterium inorganic ion homeostasis chemical homeostasis homeostatic process monoatomic ion homeostasis copper ion homeostasis monoatomic cation homeostasis nucleotide-binding oligomerization domain containing 2 signaling pathway cellular response to growth factor stimulus cell surface receptor protein serine/threonine kinase signaling pathway regulation of transmembrane receptor protein serine/threonine kinase signaling pathway cellular response to endogenous stimulus BMP signaling pathway enzyme-linked receptor protein signaling pathway cellular response to BMP stimulus regulation of BMP signaling pathway cell surface receptor signaling pathway response to endogenous stimulus regulation of cellular response to growth factor stimulus response to BMP response to growth factor transforming growth factor beta receptor superfamily signaling pathway positive regulation of JNK cascade JNK cascade positive regulation of MAPK cascade regulation of JNK cascade regulation of MAPK cascade MAPK cascade protein polyubiquitination protein K63-linked ubiquitination regulation of inflammatory response inflammatory response neuron apoptotic process cell population proliferation regulation of cell population proliferation Wnt signaling pathway positive regulation of protein linear polyubiquitination regulation of protein linear polyubiquitination regulation of protein polyubiquitination positive regulation of protein polyubiquitination protein linear polyubiquitination regulation of canonical Wnt signaling pathway canonical Wnt signaling pathway positive regulation of Wnt signaling pathway positive regulation of canonical Wnt signaling pathway regulation of Wnt signaling pathway regulation of apoptosis involved in tissue homeostasis multicellular organismal process homeostasis of number of cells within a tissue tissue homeostasis multicellular organismal-level homeostasis anatomical structure homeostasis homeostasis of number of cells cell cycle regulation of cell cycle positive regulation of macromolecule biosynthetic process positive regulation of biosynthetic process cytokine production regulation of cytokine production regulation of multicellular organismal process regulation of biosynthetic process positive regulation of type I interferon production type I interferon production gene expression macromolecule biosynthetic process regulation of gene expression biosynthetic process positive regulation of gene expression positive regulation of multicellular organismal process regulation of macromolecule biosynthetic process positive regulation of cytokine production regulation of type I interferon production response to lipid response to oxygen-containing compound response to lipopolysaccharide response to chemical response to molecule of bacterial origin negative regulation of signaling response to cytokine negative regulation of cell communication cytokine-mediated signaling pathway cellular response to tumor necrosis factor tumor necrosis factor-mediated signaling pathway cellular response to cytokine stimulus regulation of tumor necrosis factor-mediated signaling pathway negative regulation of response to stimulus regulation of cytokine-mediated signaling pathway negative regulation of tumor necrosis factor-mediated signaling pathway negative regulation of signal transduction response to peptide regulation of response to cytokine stimulus negative regulation of response to cytokine stimulus negative regulation of cytokine-mediated signaling pathway response to tumor necrosis factor	cellular anatomical structure intracellular anatomical structure cytoplasm cytosol membrane-bounded organelle nucleus membrane-enclosed lumen intracellular membrane-bounded organelle intracellular organelle lumen intracellular organelle nucleoplasm organelle lumen organelle nuclear lumen

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR015142	Smac/DIABLO protein	Family
A, B	IPR009062	Smac/DIABLO-like superfamily	Homologous Superfamily
C, D	IPR050784	Inhibitor of Apoptosis	Family
C, D	IPR048875	BIRC2/3-like, UBA domain	Domain
C, D	IPR011029	Death-like domain superfamily	Homologous Superfamily
C, D	IPR042579	XIAP/BIRC8, UBA domain	Domain
C, D	IPR001370	BIR repeat	Repeat
C, D	IPR001841	Zinc finger, RING-type	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: Q9NR28	autosomal dominant nonsyndromic deafness 64 Huntington disease nonsyndromic genetic deafness brain ischemia Myocardial Reperfusion Injury prostate cancer osteoarthritis, hip allergic rhinitis cancer juvenile Huntington disease osteoarthritis
C, D	Pharos: P98170	X-linked lymphoproliferative disease due to XIAP deficiency esophageal cancer ovarian cancer Mammary Neoplasms, Experimental amyotrophic lateral sclerosis type 1 osteosarcoma pancreatic ductal adenocarcinoma X-linked lymphoproliferative disease due to SH2D1A deficiency amyotrophic lateral sclerosis intellectual disability lymphatic system disease myopathy pancreatic intraductal papillary-mucinous carcinoma breast cancer facioscapulohumeral muscular dystrophy X-linked lymphoproliferative disease due to XIAP deficiency esophageal cancer ovarian cancer Mammary Neoplasms, Experimental amyotrophic lateral sclerosis type 1 osteosarcoma pancreatic ductal adenocarcinoma X-linked lymphoproliferative disease due to SH2D1A deficiency amyotrophic lateral sclerosis intellectual disability lymphatic system disease myopathy pancreatic intraductal papillary-mucinous carcinoma breast cancer facioscapulohumeral muscular dystrophy juvenile dermatomyositis neoplasm of esophagus ovarian neoplasm pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia X-linked lymphoproliferative syndrome cancer hematologic disease large cell medulloblastoma lymphoproliferative syndrome

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.