5LW1

Crystal structure of DARPin-DARPin rigid fusion, variant DD_232_11_D12 in complex JNK1a1 and JIP1 peptide

External Resource: Annotation

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: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
B	SCOP2B Superfamily	Protein kinase-like (PK-like)	8040900	3000066	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	Protein kinase-like (PK-like)	8040900	3000066	SCOP2B (2022-06-29)
H	SCOP2B Superfamily	Protein kinase-like (PK-like)	8040900	3000066	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	Ank_2	e5lw1A1	A: alpha superhelices	X: Repetitive alpha hairpins	H: Ankyrin repeat (From Topology)	T: Ankyrin repeat	F: Ank_2	ECOD (1.6)
D	Ank_2	e5lw1D1	A: alpha superhelices	X: Repetitive alpha hairpins	H: Ankyrin repeat (From Topology)	T: Ankyrin repeat	F: Ank_2	ECOD (1.6)
G	Ank_2	e5lw1G1	A: alpha superhelices	X: Repetitive alpha hairpins	H: Ankyrin repeat (From Topology)	T: Ankyrin repeat	F: Ank_2	ECOD (1.6)
B	Pkinase_Tyr	e5lw1B1	A: a+b complex topology	X: Protein kinase/SAICAR synthase/ATP-grasp (From Homology)	H: Protein kinase/SAICAR synthase/ATP-grasp	T: Protein kinase	F: Pkinase_Tyr	ECOD (1.6)
E	Pkinase_Tyr	e5lw1E1	A: a+b complex topology	X: Protein kinase/SAICAR synthase/ATP-grasp (From Homology)	H: Protein kinase/SAICAR synthase/ATP-grasp	T: Protein kinase	F: Pkinase_Tyr	ECOD (1.6)
H	Pkinase_Tyr	e5lw1H1	A: a+b complex topology	X: Protein kinase/SAICAR synthase/ATP-grasp (From Homology)	H: Protein kinase/SAICAR synthase/ATP-grasp	T: Protein kinase	F: Pkinase_Tyr	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
B	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
B	1.10.510.10	Mainly Alpha	Orthogonal Bundle	Transferase(Phosphotransferase)	domain 1	CATH (4.3.0)
E	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
E	1.10.510.10	Mainly Alpha	Orthogonal Bundle	Transferase(Phosphotransferase)	domain 1	CATH (4.3.0)
H	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
H	1.10.510.10	Mainly Alpha	Orthogonal Bundle	Transferase(Phosphotransferase)	domain 1	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
B, E, H	PF00069	Protein kinase domain (Pkinase)	Protein kinase domain	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, D, G	DD_232_11_D12	-	-	-
B, E, H	Mitogen-activated protein kinase 8	histone deacetylase binding protein binding binding enzyme binding enzyme regulator activity molecular function regulator activity histone deacetylase regulator activity protein phosphatase binding phosphatase binding adenyl ribonucleotide binding nucleotide binding purine ribonucleotide binding purine ribonucleoside triphosphate binding nucleoside phosphate binding histone deacetylase binding protein binding binding enzyme binding enzyme regulator activity molecular function regulator activity histone deacetylase regulator activity protein phosphatase binding phosphatase binding adenyl ribonucleotide binding nucleotide binding purine ribonucleotide binding purine ribonucleoside triphosphate binding nucleoside phosphate binding ion binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding ATP binding heterocyclic compound binding carbohydrate derivative binding ribonucleotide binding small molecule binding protein serine/threonine kinase activity JUN kinase activity catalytic activity, acting on a protein kinase activity protein kinase activity transferase activity catalytic activity MAP kinase activity phosphotransferase activity, alcohol group as acceptor transferase activity, transferring phosphorus-containing groups protein serine kinase activity protein serine/threonine kinase binding kinase binding protein kinase binding	regulation of protein binding regulation of molecular function negative regulation of protein binding negative regulation of binding regulation of binding biological regulation negative regulation of molecular function regulation of biological process catabolic process regulation of cellular process macroautophagy cellular metabolic process autophagy regulation of cellular metabolic process regulation of protein binding regulation of molecular function negative regulation of protein binding negative regulation of binding regulation of binding biological regulation negative regulation of molecular function regulation of biological process catabolic process regulation of cellular process macroautophagy cellular metabolic process autophagy regulation of cellular metabolic process regulation of catabolic process regulation of autophagy cellular catabolic process regulation of macroautophagy regulation of cellular catabolic process metabolic process cellular process regulation of metabolic process process utilizing autophagic mechanism cellular biosynthetic process positive regulation of biological process positive regulation of cellular metabolic process positive regulation of macromolecule biosynthetic process positive regulation of metabolic process organic substance metabolic process positive regulation of biosynthetic process organic substance biosynthetic process positive regulation of macromolecule metabolic process positive regulation of cellular process regulation of biosynthetic process regulation of macromolecule metabolic process gene expression macromolecule biosynthetic process regulation of cellular biosynthetic process regulation of gene expression biosynthetic process positive regulation of gene expression regulation of macromolecule biosynthetic process macromolecule metabolic process positive regulation of cellular biosynthetic process positive regulation of molecular function positive regulation of cyclase activity regulation of catalytic activity positive regulation of catalytic activity regulation of cyclase activity positive regulation of programmed cell death regulation of apoptotic process regulation of programmed cell death cell death positive regulation of apoptotic process apoptotic process programmed cell death organonitrogen compound metabolic process protein phosphorylation phosphorylation primary metabolic process macromolecule modification peptidyl-amino acid modification phosphate-containing compound metabolic process peptidyl-threonine modification protein metabolic process protein modification process phosphorus metabolic process peptidyl-threonine phosphorylation cellular response to stimulus cellular response to stress response to stimulus response to stress cellular senescence response to oxidative stress cellular response to chemical stimulus response to chemical cellular response to oxidative stress cellular response to chemical stress regulation of DNA replication origin binding regulation of DNA binding signaling intracellular signal transduction cell communication JNK cascade intracellular signaling cassette MAPK cascade signal transduction response to light stimulus response to radiation response to abiotic stimulus response to UV immune response-regulating cell surface receptor signaling pathway cell surface receptor signaling pathway immune response Fc receptor signaling pathway immune response-regulating signaling pathway regulation of response to stimulus immune system process Fc-epsilon receptor signaling pathway regulation of immune response regulation of immune system process peptidyl-serine modification peptidyl-serine phosphorylation response to nutrient levels cellular response to amino acid starvation cellular response to starvation cellular response to nutrient levels response to amino acid starvation response to starvation cellular response to inorganic substance cellular response to metal ion response to cadmium ion response to inorganic substance response to metal ion cellular response to cadmium ion positive regulation of protein metabolic process regulation of protein metabolic process regulation of primary metabolic process JUN phosphorylation stress-activated MAPK cascade stress-activated protein kinase signaling cascade rhythmic process circadian rhythm regulation of circadian rhythm negative regulation of programmed cell death negative regulation of biological process negative regulation of apoptotic process negative regulation of cellular process response to organic substance biological process involved in interspecies interaction between organisms response to lipid response to other organism cellular response to lipopolysaccharide response to oxygen-containing compound response to external stimulus cellular response to molecule of bacterial origin response to lipopolysaccharide cellular response to oxygen-containing compound response to biotic stimulus cellular response to biotic stimulus response to bacterium cellular response to lipid cellular response to organic substance response to external biotic stimulus response to molecule of bacterial origin positive regulation of cell communication positive regulation of response to biotic stimulus positive regulation of signal transduction pattern recognition receptor signaling pathway regulation of NLRP3 inflammasome complex assembly positive regulation of NLRP3 inflammasome complex assembly regulation of signal transduction cellular component biogenesis immune response-activating signaling pathway cellular component assembly inflammasome-mediated signaling pathway positive regulation of immune response canonical inflammasome complex assembly positive regulation of immune system process innate immune response-activating signaling pathway positive regulation of pattern recognition receptor signaling pathway regulation of innate immune response positive regulation of inflammasome-mediated signaling pathway regulation of inflammasome-mediated signaling pathway defense response to other organism regulation of pattern recognition receptor signaling pathway NLRP3 inflammasome complex assembly positive regulation of defense response activation of innate immune response inflammatory response activation of immune response cytoplasmic pattern recognition receptor signaling pathway regulation of defense response regulation of response to biotic stimulus regulation of cellular component organization positive regulation of cellular component organization regulation of response to external stimulus intracellular receptor signaling pathway regulation of cytoplasmic pattern recognition receptor signaling pathway positive regulation of response to stimulus cellular component organization regulation of protein-containing complex assembly positive regulation of protein-containing complex assembly positive regulation of response to external stimulus regulation of response to stress innate immune response protein-containing complex assembly cellular component organization or biogenesis regulation of signaling positive regulation of innate immune response defense response protein-containing complex organization positive regulation of cellular component biogenesis defense response to symbiont regulation of cellular component biogenesis regulation of cell communication positive regulation of signaling response to mechanical stimulus response to reactive oxygen species cellular response to reactive oxygen species cellular response to mechanical stimulus cellular response to abiotic stimulus cellular response to external stimulus cellular response to environmental stimulus protein localization regulation of localization cellular localization regulation of protein localization localization regulation of cellular localization cellular macromolecule localization macromolecule localization regulation of cell killing positive regulation of cell killing cell killing	intracellular anatomical structure cytoplasm cellular anatomical entity cytosol basal dendrite somatodendritic compartment cell projection dendrite dendritic tree neuron projection plasma membrane bounded cell projection axon membrane-bounded organelle nucleus intracellular anatomical structure cytoplasm cellular anatomical entity cytosol basal dendrite somatodendritic compartment cell projection dendrite dendritic tree neuron projection plasma membrane bounded cell projection axon membrane-bounded organelle nucleus membrane-enclosed lumen intracellular membrane-bounded organelle intracellular organelle lumen intracellular organelle nucleoplasm organelle lumen organelle nuclear lumen synapse cell junction
C, F, I	C-Jun-amino-terminal kinase-interacting protein 1	JUN kinase binding protein binding binding kinase binding enzyme binding protein kinase binding enzyme regulator activity protein kinase inhibitor activity molecular function inhibitor activity molecular function regulator activity enzyme inhibitor activity protein kinase regulator activity kinase inhibitor activity kinase regulator activity JUN kinase binding protein binding binding kinase binding enzyme binding protein kinase binding enzyme regulator activity protein kinase inhibitor activity molecular function inhibitor activity molecular function regulator activity enzyme inhibitor activity protein kinase regulator activity kinase inhibitor activity kinase regulator activity cytoskeletal protein binding kinesin binding MAP-kinase scaffold activity protein-macromolecule adaptor activity molecular adaptor activity signaling adaptor activity	cellular response to stimulus regulation of cellular process response to stimulus regulation of catalytic activity negative regulation of biological process negative regulation of catalytic activity regulation of signal transduction regulation of transferase activity regulation of MAP kinase activity intracellular signal transduction negative regulation of cellular metabolic process regulation of primary metabolic process cell communication negative regulation of kinase activity negative regulation of transferase activity cellular response to stimulus regulation of cellular process response to stimulus regulation of catalytic activity negative regulation of biological process negative regulation of catalytic activity regulation of signal transduction regulation of transferase activity regulation of MAP kinase activity intracellular signal transduction negative regulation of cellular metabolic process regulation of primary metabolic process cell communication negative regulation of kinase activity negative regulation of transferase activity negative regulation of JNK cascade regulation of phosphate metabolic process JNK cascade phosphate-containing compound metabolic process intracellular signaling cassette negative regulation of protein modification process signal transduction phosphorus metabolic process protein modification process negative regulation of protein metabolic process regulation of biological process protein phosphorylation phosphorylation cellular metabolic process regulation of protein metabolic process negative regulation of metabolic process regulation of JNK cascade regulation of cellular metabolic process primary metabolic process regulation of MAPK cascade regulation of molecular function regulation of kinase activity regulation of response to stimulus negative regulation of protein phosphorylation regulation of protein serine/threonine kinase activity macromolecule modification regulation of phosphorus metabolic process metabolic process macromolecule metabolic process regulation of metabolic process regulation of protein modification process regulation of protein phosphorylation signaling negative regulation of signaling negative regulation of intracellular signal transduction negative regulation of phosphate metabolic process negative regulation of cell communication organic substance metabolic process regulation of intracellular signal transduction negative regulation of protein serine/threonine kinase activity negative regulation of cellular process protein metabolic process negative regulation of JUN kinase activity negative regulation of macromolecule metabolic process regulation of signaling organonitrogen compound metabolic process negative regulation of response to stimulus biological regulation negative regulation of molecular function negative regulation of MAP kinase activity regulation of protein kinase activity regulation of macromolecule metabolic process negative regulation of protein kinase activity negative regulation of signal transduction negative regulation of phosphorus metabolic process regulation of JUN kinase activity MAPK cascade regulation of cell communication regulation of phosphorylation cellular process negative regulation of phosphorylation negative regulation of MAPK cascade regulation of programmed cell death regulation of intrinsic apoptotic signaling pathway negative regulation of apoptotic signaling pathway intrinsic apoptotic signaling pathway negative regulation of programmed cell death regulation of apoptotic process cell death negative regulation of intrinsic apoptotic signaling pathway apoptotic signaling pathway negative regulation of apoptotic process apoptotic process programmed cell death regulation of apoptotic signaling pathway positive regulation of cell communication positive regulation of signal transduction positive regulation of biological process positive regulation of response to stimulus positive regulation of JNK cascade positive regulation of cellular process positive regulation of MAPK cascade positive regulation of intracellular signal transduction positive regulation of signaling cellular biosynthetic process RNA metabolic process nucleobase-containing compound metabolic process RNA biosynthetic process nucleic acid biosynthetic process DNA-templated transcription regulation of RNA metabolic process organic substance biosynthetic process regulation of nucleobase-containing compound metabolic process regulation of RNA biosynthetic process regulation of biosynthetic process nucleobase-containing compound biosynthetic process gene expression macromolecule biosynthetic process nucleic acid metabolic process regulation of cellular biosynthetic process organic cyclic compound metabolic process regulation of gene expression biosynthetic process organic cyclic compound biosynthetic process regulation of macromolecule biosynthetic process regulation of DNA-templated transcription localization transport establishment of localization vesicle-mediated transport multicellular organismal process CD8-positive, alpha-beta T cell activation regulation of alpha-beta T cell activation regulation of leukocyte activation CD8-positive, alpha-beta T cell proliferation regulation of cell activation lymphocyte activation leukocyte proliferation leukocyte activation regulation of alpha-beta T cell proliferation T cell activation alpha-beta T cell proliferation lymphocyte proliferation alpha-beta T cell activation regulation of multicellular organismal process regulation of immune system process T cell proliferation regulation of lymphocyte proliferation regulation of leukocyte proliferation regulation of CD8-positive, alpha-beta T cell proliferation cell population proliferation cell activation regulation of T cell activation regulation of T cell proliferation immune system process mononuclear cell proliferation regulation of cell population proliferation regulation of mononuclear cell proliferation regulation of CD8-positive, alpha-beta T cell activation regulation of lymphocyte activation	membrane-bounded organelle mitochondrial membrane intracellular anatomical structure mitochondrion membrane cellular anatomical entity intracellular membrane-bounded organelle intracellular organelle organelle envelope mitochondrial envelope organelle cytoplasm organelle membrane cytosol membrane-bounded organelle mitochondrial membrane intracellular anatomical structure mitochondrion membrane cellular anatomical entity intracellular membrane-bounded organelle intracellular organelle organelle envelope mitochondrial envelope organelle cytoplasm organelle membrane cytosol cell periphery plasma membrane somatodendritic compartment cell projection dendrite dendritic tree neuron projection plasma membrane bounded cell projection organelle subcompartment endomembrane system endoplasmic reticulum subcompartment nuclear outer membrane-endoplasmic reticulum membrane network endoplasmic reticulum endoplasmic reticulum membrane synapse cell junction perinuclear region of cytoplasm cell body neuronal cell body axon dentate gyrus mossy fiber hippocampal mossy fiber nucleus
J [auth L]	Pepstatin	-	-	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
B, E, H	IPR003527	Mitogen-activated protein (MAP) kinase, conserved site	Conserved Site
B, E, H	IPR000719	Protein kinase domain	Domain
B, E, H	IPR008351	Mitogen-activated protein (MAP) kinase, JNK	Family
B, E, H	IPR011009	Protein kinase-like domain superfamily	Homologous Superfamily
B, E, H	IPR008271	Serine/threonine-protein kinase, active site	Active Site
C, F, I	IPR035638	JIP1, SH3 domain	Domain
C, F, I	IPR036028	SH3-like domain superfamily	Homologous Superfamily
C, F, I	IPR011993	PH-like domain superfamily	Homologous Superfamily
C, F, I	IPR047178	JNK-interacting protein 1	Family
C, F, I	IPR006020	PTB/PI domain	Domain
C, F, I	IPR001452	SH3 domain	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
B, E, H	Pharos: P45983	acute liver failure Hyperalgesia trigeminal neuralgia extrahepatic cholestasis glioblastoma ischemia reperfusion injury ovarian cancer precancerous condition atopic eczema schizophrenia cancer gastric cancer hereditary diffuse gastric adenocarcinoma malignant ependymoma pancreatic intraductal papillary-mucinous carcinoma acute liver failure Hyperalgesia trigeminal neuralgia extrahepatic cholestasis glioblastoma ischemia reperfusion injury ovarian cancer precancerous condition atopic eczema schizophrenia cancer gastric cancer hereditary diffuse gastric adenocarcinoma malignant ependymoma pancreatic intraductal papillary-mucinous carcinoma acute myeloid leukemia atypical teratoid rhabdoid tumor thrombocytopenia due to immune destruction depressive disorder tuberculosis gastric neoplasm malignant glioma medulloblastoma osteosarcoma pilocytic astrocytoma breast cancer spina bifida dermatitis, atopic
C, F, I	Pharos: Q9UQF2	type 2 diabetes mellitus acquired metabolic disease diabetes mellitus INSULIN RESISTANCE, SUSCEPTIBILITY TO maturity-onset diabetes of the young attention deficit hyperactivity disorder, inattentive type lung carcinoma oligodendroglioma vascular disease cervical cancer malignant glioma psoriasis

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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 R01GM133198.