4X21

The MAP kinase JNK3 as target for halogen bonding

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)
B	d4x21b_	Alpha and beta proteins (a+b)	Protein kinase-like (PK-like)	Protein kinase-like (PK-like)	Protein kinases, catalytic subunit	c-jun N-terminal kinase (jnk3s)	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
A	d4x21a_	Alpha and beta proteins (a+b)	Protein kinase-like (PK-like)	Protein kinase-like (PK-like)	Protein kinases, catalytic subunit	c-jun N-terminal kinase (jnk3s)	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)
B	SCOP2B Superfamily	Protein kinase-like (PK-like)	8038976	3000066	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	Protein kinase-like (PK-like)	8038976	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)
B	Pkinase_Tyr	e4x21B1	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)
A	Pkinase_Tyr	e4x21A1	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)
A	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
A	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
A, B	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, B	Mitogen-activated protein kinase 10	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 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 MAP kinase kinase activity protein serine/threonine/tyrosine kinase activity protein serine kinase activity	cellular response to stimulus regulation of biological process regulation of cellular process response to stimulus signaling biological regulation intracellular signal transduction cell communication JNK cascade intracellular signaling cassette MAPK cascade cellular process signal transduction protein phosphorylation cellular response to stimulus regulation of biological process regulation of cellular process response to stimulus signaling biological regulation intracellular signal transduction cell communication JNK cascade intracellular signaling cassette MAPK cascade cellular process signal transduction protein phosphorylation phosphorylation primary metabolic process macromolecule modification phosphate-containing compound metabolic process metabolic process protein metabolic process macromolecule metabolic process protein modification process phosphorus metabolic process rhythmic process 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 circadian rhythm regulation of circadian rhythm response to light stimulus response to radiation response to abiotic stimulus cellular response to stress response to stress cellular senescence	membrane-bounded organelle intracellular organelle cellular anatomical structure intracellular anatomical structure mitochondrion organelle cytoplasm intracellular membrane-bounded organelle cytosol cell periphery plasma membrane membrane nucleus membrane-enclosed lumen membrane-bounded organelle intracellular organelle cellular anatomical structure intracellular anatomical structure mitochondrion organelle cytoplasm intracellular membrane-bounded organelle cytosol cell periphery plasma membrane membrane nucleus membrane-enclosed lumen intracellular organelle lumen nucleoplasm organelle lumen nuclear lumen

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR003527	Mitogen-activated protein (MAP) kinase, conserved site	Conserved Site
A, B	IPR050117	Mitogen-activated protein kinase	Family
A, B	IPR008351	Mitogen-activated protein (MAP) kinase, JNK	Family
A, B	IPR011009	Protein kinase-like domain superfamily	Homologous Superfamily
A, B	IPR000719	Protein kinase domain	Domain
A, B	IPR008271	Serine/threonine-protein kinase, active site	Active Site

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: P53779	intellectual disability Lennox-Gastaut syndrome atypical teratoid rhabdoid tumor glioblastoma large cell medulloblastoma malignant glioma pancreatic intraductal papillary-mucinous neoplasm subependymal giant cell astrocytoma epilepsy medulloblastoma pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia Epileptic encephalopathy invasive ductal breast carcinoma lung adenocarcinoma pancreatic intraductal papillary-mucinous carcinoma intellectual disability Lennox-Gastaut syndrome atypical teratoid rhabdoid tumor glioblastoma large cell medulloblastoma malignant glioma pancreatic intraductal papillary-mucinous neoplasm subependymal giant cell astrocytoma epilepsy medulloblastoma pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia Epileptic encephalopathy invasive ductal breast carcinoma lung adenocarcinoma pancreatic intraductal papillary-mucinous carcinoma primitive neuroectodermal tumor

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.