4PS1

Caspase-8 specific unnatural amino acid peptides

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
Protein Modification Annotation

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d4ps1a_	Alpha and beta proteins (a/b)	Caspase-like	Caspase-like	Caspase catalytic domain	automated matches	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d4ps1b_	Alpha and beta proteins (a/b)	Caspase-like	Caspase-like	Caspase catalytic domain	automated matches	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D	d4ps1d_	Alpha and beta proteins (a/b)	Caspase-like	Caspase-like	Caspase catalytic domain	automated matches	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d4ps1c_	Alpha and beta proteins (a/b)	Caspase-like	Caspase-like	Caspase catalytic domain	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	Caspase-like	8041379	3001096	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Caspase-like	8041379	3001096	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Caspase-like	8041379	3001096	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Caspase-like	8041379	3001096	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	Peptidase_C14	e4ps1A1	A: a/b three-layered sandwiches	X: Caspase-like (From Topology)	H: Caspase-like (From Topology)	T: Caspase-like	F: Peptidase_C14	ECOD (1.6)
B	Peptidase_C14	e4ps1B1	A: a/b three-layered sandwiches	X: Caspase-like (From Topology)	H: Caspase-like (From Topology)	T: Caspase-like	F: Peptidase_C14	ECOD (1.6)
D	Peptidase_C14	e4ps1D1	A: a/b three-layered sandwiches	X: Caspase-like (From Topology)	H: Caspase-like (From Topology)	T: Caspase-like	F: Peptidase_C14	ECOD (1.6)
C	Peptidase_C14	e4ps1C1	A: a/b three-layered sandwiches	X: Caspase-like (From Topology)	H: Caspase-like (From Topology)	T: Caspase-like	F: Peptidase_C14	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.50.1460	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold		CATH (4.3.0)
B	3.40.50.1460	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold		CATH (4.3.0)
D	3.40.50.1460	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold		CATH (4.3.0)
C	3.40.50.1460	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold		CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF00656	Caspase domain (Peptidase_C14)	Caspase domain	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	Caspase-8	cysteine-type peptidase activity peptidase activity catalytic activity, acting on a protein hydrolase activity catalytic activity protein-containing complex binding binding protein binding signaling receptor binding cytokine receptor binding tumor necrosis factor receptor superfamily binding death receptor binding ubiquitin protein ligase binding ubiquitin-like protein ligase binding cysteine-type peptidase activity peptidase activity catalytic activity, acting on a protein hydrolase activity catalytic activity protein-containing complex binding binding protein binding signaling receptor binding cytokine receptor binding tumor necrosis factor receptor superfamily binding death receptor binding ubiquitin protein ligase binding ubiquitin-like protein ligase binding enzyme binding identical protein binding cysteine-type endopeptidase activity endopeptidase activity scaffold protein binding death effector domain binding protein domain specific binding tumor necrosis factor receptor binding	developmental process heart development multicellular organism development multicellular organismal process anatomical structure development animal organ development circulatory system development system development activation of cysteine-type endopeptidase activity regulation of cellular process regulation of catalytic activity positive regulation of protein metabolic process positive regulation of peptidase activity positive regulation of biological process developmental process heart development multicellular organism development multicellular organismal process anatomical structure development animal organ development circulatory system development system development activation of cysteine-type endopeptidase activity regulation of cellular process regulation of catalytic activity positive regulation of protein metabolic process positive regulation of peptidase activity positive regulation of biological process protein maturation regulation of primary metabolic process positive regulation of molecular function positive regulation of metabolic process regulation of proteolysis proteolysis regulation of endopeptidase activity positive regulation of macromolecule metabolic process protein metabolic process positive regulation of cellular process zymogen activation regulation of cysteine-type endopeptidase activity regulation of biological process regulation of protein metabolic process regulation of peptidase activity biological regulation positive regulation of catalytic activity primary metabolic process regulation of macromolecule metabolic process gene expression macromolecule biosynthetic process regulation of molecular function positive regulation of hydrolase activity biosynthetic process positive regulation of cysteine-type endopeptidase activity regulation of hydrolase activity positive regulation of endopeptidase activity positive regulation of proteolysis protein processing metabolic process cellular process macromolecule metabolic process regulation of metabolic process cell differentiation involved in embryonic placenta development cellular developmental process placenta development reproductive process syncytiotrophoblast cell differentiation involved in labyrinthine layer development chordate embryonic development labyrinthine layer development developmental process involved in reproduction embryo development in utero embryonic development embryonic placenta development embryo development ending in birth or egg hatching cell differentiation embryonic organ development apoptotic process cell death programmed cell death positive regulation of programmed cell death regulation of apoptotic process regulation of programmed cell death positive regulation of apoptotic process immune system process B cell activation cell activation lymphocyte activation leukocyte activation neuron apoptotic process positive regulation of neuron apoptotic process regulation of neuron apoptotic process catabolic process proteolysis involved in protein catabolic process protein catabolic process macromolecule catabolic process cellular response to stimulus response to stimulus cell surface receptor signaling pathway signaling extrinsic apoptotic signaling pathway cell communication apoptotic signaling pathway signal transduction extrinsic apoptotic signaling pathway via death domain receptors interleukin-1 production regulation of interleukin-1 beta production positive regulation of macromolecule biosynthetic process positive regulation of interleukin-1 beta production positive regulation of biosynthetic process regulation of cytokine production cytokine production regulation of multicellular organismal process positive regulation of interleukin-1 production regulation of biosynthetic process regulation of interleukin-1 production regulation of gene expression interleukin-1 beta production positive regulation of gene expression positive regulation of multicellular organismal process regulation of macromolecule biosynthetic process positive regulation of cytokine production natural killer cell activation myeloid leukocyte differentiation regulation of leukocyte differentiation regulation of developmental process cell development regulation of cell differentiation mononuclear cell differentiation regulation of cell development positive regulation of developmental process positive regulation of cell differentiation positive regulation of hemopoiesis regulation of immune system process regulation of macrophage differentiation positive regulation of immune system process regulation of multicellular organismal development hemopoiesis regulation of myeloid cell differentiation positive regulation of cell development macrophage differentiation regulation of myeloid leukocyte differentiation positive regulation of myeloid leukocyte differentiation positive regulation of macrophage differentiation myeloid cell differentiation positive regulation of myeloid cell differentiation regulation of hemopoiesis positive regulation of leukocyte differentiation leukocyte differentiation response to cytokine regulation of signal transduction cytokine-mediated signaling pathway cellular response to tumor necrosis factor tumor necrosis factor-mediated signaling pathway cellular response to cytokine stimulus regulation of signaling regulation of tumor necrosis factor-mediated signaling pathway regulation of cytokine-mediated signaling pathway response to peptide regulation of response to cytokine stimulus regulation of response to stimulus response to chemical regulation of cell communication response to tumor necrosis factor cellular response to chemical stimulus cellular response to organic cyclic compound response to organic cyclic compound self proteolysis 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 blood vessel morphogenesis tube development angiogenesis vasculature development anatomical structure morphogenesis tube morphogenesis anatomical structure formation involved in morphogenesis blood vessel development negative regulation of signaling negative regulation of intracellular signal transduction negative regulation of biological process negative regulation of canonical NF-kappaB signal transduction negative regulation of cell communication negative regulation of cellular process negative regulation of response to stimulus negative regulation of signal transduction execution phase of apoptosis response to alcohol response to oxygen-containing compound response to ethanol necroptotic process negative regulation of programmed cell death negative regulation of necroptotic process programmed necrotic cell death regulation of necroptotic process negative regulation of programmed necrotic cell death regulation of programmed necrotic cell death T cell activation regulation of defense response regulation of response to biotic stimulus biological process involved in interspecies interaction between organisms regulation of response to external stimulus response to biotic stimulus response to stress regulation of response to stress innate immune response response to external biotic stimulus immune response response to other organism defense response regulation of innate immune response defense response to symbiont response to external stimulus defense response to other organism regulation of immune response response to mechanical stimulus response to abiotic stimulus cellular response to mechanical stimulus cellular response to abiotic stimulus cellular response to external stimulus cellular response to environmental stimulus positive regulation of locomotion regulation of cell motility positive regulation of cell migration regulation of locomotion positive regulation of cell motility regulation of cell migration cell migration cell motility locomotion TRAIL-activated apoptotic signaling pathway pyroptotic inflammatory response inflammatory response response to cobalt ion response to metal ion response to lipid response to lipopolysaccharide response to bacterium response to molecule of bacterial origin response to estradiol	cell projection cellular anatomical structure cell leading edge plasma membrane bounded cell projection lamellipodium intracellular anatomical structure cytoplasm cytosol intracellular organelle cytoskeleton organelle membraneless organelle intracellular membraneless organelle membrane-bounded organelle cell projection cellular anatomical structure cell leading edge plasma membrane bounded cell projection lamellipodium intracellular anatomical structure cytoplasm cytosol intracellular organelle cytoskeleton organelle membraneless organelle intracellular membraneless organelle membrane-bounded organelle mitochondrial membrane mitochondrion membrane organelle outer membrane intracellular membrane-bounded organelle organelle envelope bounding membrane of organelle mitochondrial envelope mitochondrial outer membrane outer membrane organelle membrane cell body cell periphery protein-containing complex plasma membrane protein complex plasma membrane death-inducing signaling complex membrane protein complex nucleus membrane-enclosed lumen intracellular organelle lumen nucleoplasm organelle lumen nuclear lumen CD95 death-inducing signaling complex ripoptosome catalytic complex
E, F, G, H	(BAL)LQ(HYP)(1U8) PEPTIDE	-	-	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR029030	Caspase-like domain superfamily	Homologous Superfamily
A, B, C, D	IPR001875	Death effector domain	Domain
A, B, C, D	IPR001309	Peptidase C14, p20 domain	Domain
A, B, C, D	IPR011600	Peptidase C14, caspase domain	Domain
A, B, C, D	IPR016129	Peptidase family C14A, His active site	Active Site
A, B, C, D	IPR033170	Caspase-8, death effector domain 1	Domain
A, B, C, D	IPR015917	Peptidase C14A, caspase catalytic domain	Domain
A, B, C, D	IPR011029	Death-like domain superfamily	Homologous Superfamily
A, B, C, D	IPR051290	CASP8/FADD-like_regulator	Unknown
A, B, C, D	IPR033139	Peptidase family C14A, cysteine active site	Active Site
A, B, C, D	IPR002138	Peptidase C14, caspase non-catalytic subunit p10	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C, D	Pharos: Q14790	melanoma non-small cell lung carcinoma breast carcinoma status epilepticus autoimmune lymphoproliferative syndrome type 2B type 2 diabetes mellitus esophageal cancer autoimmune lymphoproliferative syndrome skin neoplasm tubular adenocarcinoma Myocardial Reperfusion Injury adenocarcinoma gastric cancer lung cancer colorectal cancer melanoma non-small cell lung carcinoma breast carcinoma status epilepticus autoimmune lymphoproliferative syndrome type 2B type 2 diabetes mellitus esophageal cancer autoimmune lymphoproliferative syndrome skin neoplasm tubular adenocarcinoma Myocardial Reperfusion Injury adenocarcinoma gastric cancer lung cancer colorectal cancer cutaneous melanoma allergic contact dermatitis granular cell carcinoma B-cell chronic lymphocytic leukemia hepatocellular carcinoma breast cancer cervical cancer skin cancer contact dermatitis head and neck squamous cell carcinoma ischemia reperfusion injury Sjogren syndrome childhood acute lymphoblastic leukemia lung disease malignant ependymoma cutaneous lupus erythematosus adult hepatocellular carcinoma osteosarcoma atypical teratoid rhabdoid tumor hematologic disease breast adenocarcinoma human papilloma virus infection prostate carcinoma breast disease rheumatoid arthritis skin basal cell carcinoma squamous cell carcinoma malignant glioma cribriform carcinoma maturity-onset diabetes of the young neoplasm of esophagus gastric neoplasm ovarian cancer intracerebral hemorrhage psoriasis cancer lung carcinoma colorectal carcinoma lymphatic system disease subependymal giant cell astrocytoma cribriform carcinoma of breast esophageal squamous cell carcinoma oral cavity squamous cell carcinoma glioblastoma pancreatic intraductal papillary-mucinous neoplasm pilocytic astrocytoma bipolar disorder hereditary diffuse gastric adenocarcinoma carcinoma of esophagus lung benign neoplasm

Protein Modification Annotation

Modified Residue(s)
Chain	Residue(s)	Description
E, F, G, H	1U8
E, F, G, H	BAL
E, F, G, H	HYP	Parent Component: PRO RESID: AA0030 PSI-MOD : 4-hydroxy-L-proline MOD:00039

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.