4QP1

Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine

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	d4qp1a_	Alpha and beta proteins (a+b)	Protein kinase-like (PK-like)	Protein kinase-like (PK-like)	Protein kinases, catalytic subunit	MAP kinase Erk2	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d4qp1b_	Alpha and beta proteins (a+b)	Protein kinase-like (PK-like)	Protein kinase-like (PK-like)	Protein kinases, catalytic subunit	MAP kinase Erk2	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	Protein kinase-like (PK-like)	8036635	3000066	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Protein kinase-like (PK-like)	8036635	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	Pkinase_Tyr	e4qp1A1	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)
B	Pkinase_Tyr	e4qp1B1	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)
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)
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)

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 1	phosphoprotein binding phosphotyrosine residue binding protein binding binding protein phosphorylated amino acid 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 phosphoprotein binding phosphotyrosine residue binding protein binding binding protein phosphorylated amino acid 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 DNA binding nucleic acid binding protein serine/threonine 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 phosphatase binding enzyme binding RNA polymerase II CTD heptapeptide repeat modifying activity RNA polymerase II CTD heptapeptide repeat kinase activity identical protein binding protein serine kinase 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 pyrimidine nucleobase metabolic process pyrimidine-containing compound metabolic process nucleobase-containing small molecule metabolic process nucleobase metabolic process small molecule metabolic process metabolic process primary 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 pyrimidine nucleobase metabolic process pyrimidine-containing compound metabolic process nucleobase-containing small molecule metabolic process nucleobase metabolic process small molecule metabolic process metabolic process primary metabolic process cytosine metabolic process developmental process multicellular organismal process tube development animal organ development respiratory tube development multicellular organism development anatomical structure morphogenesis anatomical structure development lung morphogenesis lung development respiratory system development animal organ morphogenesis system development regulation of cellular process intracellular receptor signaling pathway response to lipid signaling hormone-mediated signaling pathway intracellular signal transduction cell communication cellular response to endogenous stimulus response to hormone response to steroid hormone androgen receptor signaling pathway signal transduction nuclear receptor-mediated steroid hormone signaling pathway cellular response to steroid hormone stimulus response to organic cyclic compound steroid hormone receptor signaling pathway cellular response to hormone stimulus regulation of biological process response to endogenous stimulus biological regulation cellular response to organic cyclic compound cellular response to chemical stimulus response to chemical cellular response to lipid nuclear receptor-mediated signaling pathway apoptotic process cell death programmed cell death protein phosphorylation phosphorylation macromolecule modification peptidyl-amino acid modification phosphate-containing compound metabolic process peptidyl-threonine modification protein metabolic process macromolecule metabolic process protein modification process phosphorus metabolic process peptidyl-threonine phosphorylation cell surface receptor signaling pathway insulin-like growth factor receptor signaling pathway cell surface receptor protein tyrosine kinase signaling pathway enzyme-linked receptor protein signaling pathway regulation of cellular component organization Golgi inheritance organelle inheritance regulation of organelle organization cellular component organization regulation of Golgi organization organelle organization regulation of Golgi inheritance cellular component organization or biogenesis Golgi organization endomembrane system organization ERBB signaling pathway ear morphogenesis embryonic organ morphogenesis ear development sensory organ development embryonic morphogenesis embryo development outer ear morphogenesis sensory organ morphogenesis embryonic organ development positive regulation of locomotion regulation of cell motility macrophage migration positive regulation of chemotaxis positive regulation of cell migration taxis cell migration regulation of immune system process regulation of mononuclear cell migration positive regulation of immune system process chemotaxis regulation of leukocyte chemotaxis positive regulation of macrophage migration regulation of leukocyte migration response to external stimulus positive regulation of leukocyte chemotaxis granulocyte migration leukocyte migration regulation of response to stimulus regulation of locomotion regulation of response to external stimulus macrophage chemotaxis positive regulation of biological process positive regulation of response to stimulus regulation of granulocyte chemotaxis regulation of macrophage migration positive regulation of response to external stimulus positive regulation of cell motility regulation of cell migration myeloid leukocyte migration positive regulation of mononuclear cell migration cell motility locomotion positive regulation of cellular process cell chemotaxis regulation of macrophage chemotaxis positive regulation of leukocyte migration regulation of chemotaxis immune system process granulocyte chemotaxis mononuclear cell migration positive regulation of macrophage chemotaxis leukocyte chemotaxis ERBB2 signaling pathway ERBB2-ERBB3 signaling pathway ERBB3 signaling pathway regulation of protein stability regulation of biological quality response to epidermal growth factor response to growth factor positive regulation of organelle organization telomere organization regulation of DNA biosynthetic process positive regulation of macromolecule biosynthetic process RNA-templated DNA biosynthetic process regulation of primary metabolic process telomere maintenance via telomere lengthening positive regulation of metabolic process positive regulation of telomere maintenance via telomere lengthening positive regulation of macromolecule metabolic process regulation of nucleobase-containing compound metabolic process positive regulation of telomere maintenance positive regulation of nucleobase-containing compound metabolic process DNA metabolic process regulation of chromosome organization regulation of telomere maintenance via telomere lengthening positive regulation of chromosome organization telomere maintenance biosynthetic process positive regulation of DNA metabolic process positive regulation of telomere maintenance via telomerase regulation of macromolecule biosynthetic process DNA biosynthetic process regulation of metabolic process regulation of DNA metabolic process regulation of telomere maintenance positive regulation of cellular component organization nucleic acid biosynthetic process positive regulation of biosynthetic process regulation of biosynthetic process telomere maintenance via telomerase chromosome organization positive regulation of DNA biosynthetic process regulation of macromolecule metabolic process nucleobase-containing compound biosynthetic process macromolecule biosynthetic process nucleic acid metabolic process regulation of telomere maintenance via telomerase trans-synaptic signaling synaptic signaling anterograde trans-synaptic signaling cell-cell signaling chemical synaptic transmission peptidyl-serine modification peptidyl-serine phosphorylation progesterone receptor signaling pathway regulation of developmental process cellular developmental process negative regulation of developmental process negative regulation of biological process regulation of cell differentiation cell differentiation negative regulation of cellular process negative regulation of cell differentiation 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 metal ion response to metal ion cellular response to cadmium ion response to cadmium ion head development face development immune response-regulating cell surface receptor signaling pathway immune response-activating signaling pathway immune response-regulating signaling pathway positive regulation of immune response immune response-activating cell surface receptor signaling pathway immune response B cell receptor signaling pathway regulation of immune response antigen receptor-mediated signaling pathway activation of immune response labyrinthine layer blood vessel development placenta blood vessel development placenta development chordate embryonic development labyrinthine layer development in utero embryonic development vasculature development circulatory system development embryonic placenta development embryo development ending in birth or egg hatching blood vessel development T cell receptor signaling pathway immune system development gland development hematopoietic or lymphoid organ development thymus development thyroid gland development endocrine system development stress-activated MAPK cascade stress-activated protein kinase signaling cascade intracellular signaling cassette MAPK cascade localization import into cell transport endocytosis caveolin-mediated endocytosis establishment of localization vesicle-mediated transport positive regulation of phosphorylation regulation of protein modification process regulation of protein phosphorylation positive regulation of protein metabolic process regulation of peptidyl-threonine phosphorylation positive regulation of phosphate metabolic process positive regulation of protein modification process regulation of phosphate metabolic process positive regulation of protein phosphorylation positive regulation of phosphorus metabolic process positive regulation of peptidyl-threonine phosphorylation regulation of protein metabolic process regulation of phosphorus metabolic process regulation of phosphorylation ERK1 and ERK2 cascade response to dsRNA response to nitrogen compound response to exogenous dsRNA peripheral nervous system development cell development nervous system development glial cell development neurogenesis Schwann cell development gliogenesis glial cell differentiation Schwann cell differentiation biological process involved in interspecies interaction between organisms cellular response to lipopolysaccharide response to biotic stimulus lipopolysaccharide-mediated signaling pathway cellular response to biotic stimulus response to bacterium response to external biotic stimulus response to other organism response to oxygen-containing compound cellular response to molecule of bacterial origin response to lipopolysaccharide cellular response to oxygen-containing compound response to molecule of bacterial origin ossification regulation of multicellular organismal process regulation of ossification regulation of cytoskeleton organization cytoskeleton organization epithelium development cell population proliferation mammary gland development tissue development mammary gland epithelium development epithelial cell proliferation mammary gland epithelial cell proliferation regulation of cellular response to stress regulation of signal transduction regulation of intracellular signal transduction regulation of response to stress regulation of signaling regulation of stress-activated protein kinase signaling cascade regulation of MAPK cascade regulation of stress-activated MAPK cascade regulation of cell communication trachea morphogenesis trachea formation trachea development anatomical structure formation involved in morphogenesis animal organ formation regulation of localization cellular localization regulation of transport intracellular transport regulation of vesicle-mediated transport endosomal transport vesicle-mediated transport between endosomal compartments regulation of early endosome to late endosome transport early endosome to late endosome transport regulation of cellular localization establishment of localization in cell regulation of intracellular transport astrocyte differentiation central nervous system development Bergmann glial cell differentiation response to peptide cellular response to tumor necrosis factor response to cytokine cellular response to cytokine stimulus response to tumor necrosis factor homeostatic process cellular homeostasis chemical homeostasis intracellular monoatomic cation homeostasis regulation of pH monoatomic ion homeostasis intracellular chemical homeostasis monoatomic cation homeostasis regulation of cellular pH intracellular monoatomic ion homeostasis cellular response to oxidative stress cellular response to chemical stress response to reactive oxygen species cellular response to reactive oxygen species response to oxidative stress regulation of leukocyte proliferation positive regulation of cell population proliferation leukocyte proliferation macrophage proliferation regulation of cell population proliferation positive regulation of leukocyte proliferation positive regulation of macrophage proliferation regulation of macrophage proliferation cellular response to nitrogen compound response to peptide hormone insulin receptor signaling pathway cellular response to peptide hormone stimulus response to insulin cellular response to insulin stimulus stem cell development heart development neural crest cell differentiation cardiac neural crest cell development involved in heart development neural crest cell development mesenchyme development cardiocyte differentiation stem cell differentiation cardiac neural crest cell differentiation involved in heart development mesenchymal cell differentiation behavior system process learning or memory nervous system process cognition myelination axon ensheathment ensheathment of neurons positive regulation of telomere capping telomere capping regulation of telomere capping response to nicotine positive regulation of cell communication modulation of chemical synaptic transmission long-term synaptic potentiation regulation of synaptic plasticity positive regulation of synaptic transmission regulation of trans-synaptic signaling positive regulation of signaling	cell projection cellular anatomical structure pseudopodium plasma membrane bounded cell projection intracellular anatomical structure cytoplasm cytosol membrane-bounded organelle intracellular organelle Golgi apparatus organelle intracellular membrane-bounded organelle endomembrane system cytoskeleton cell projection cellular anatomical structure pseudopodium plasma membrane bounded cell projection intracellular anatomical structure cytoplasm cytosol membrane-bounded organelle intracellular organelle Golgi apparatus organelle intracellular membrane-bounded organelle endomembrane system cytoskeleton membraneless organelle intracellular membraneless organelle membrane-enclosed lumen intracellular organelle lumen endoplasmic reticulum lumen organelle lumen endoplasmic reticulum mitochondrion anchoring junction cell junction focal adhesion cell-substrate junction centrosome microtubule organizing center microtubule cytoskeleton membrane microdomain cell periphery membrane raft plasma membrane raft membrane plasma membrane plasma membrane region caveola lytic vacuole intracellular vesicle cytoplasmic vesicle lumen vacuolar lumen cytoplasmic vesicle vesicle lysosome vesicle lumen azurophil granule vacuole secretory granule lumen azurophil granule lumen secretory granule primary lysosome secretory vesicle mitotic spindle spindle ficolin-1-rich granule ficolin-1-rich granule lumen nucleus nucleoplasm nuclear lumen early endosome endosome extracellular region synapse late endosome

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	IPR000719	Protein kinase domain	Domain
A, B	IPR017441	Protein kinase, ATP binding site	Binding Site
A, B	IPR050117	Mitogen-activated protein kinase	Family
A, B	IPR011009	Protein kinase-like domain superfamily	Homologous Superfamily
A, B	IPR008349	Mitogen-activated protein (MAP) kinase, ERK1/2	Family
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: P28482	trigeminal neuralgia squamous cell carcinoma substance withdrawal syndrome cardiomyopathy chromosome 22q11.2 deletion syndrome, distal female infertility Neoplasm Metastasis head and neck cancer brain ischemia Sezary syndrome cocaine abuse streptococcal pneumonia cocaine dependence extrahepatic cholestasis ovarian cancer trigeminal neuralgia squamous cell carcinoma substance withdrawal syndrome cardiomyopathy chromosome 22q11.2 deletion syndrome, distal female infertility Neoplasm Metastasis head and neck cancer brain ischemia Sezary syndrome cocaine abuse streptococcal pneumonia cocaine dependence extrahepatic cholestasis ovarian cancer juvenile idiopathic arthritis esophageal adenocarcinoma tuberculosis medulloblastoma gastric neoplasm neuronal ceroid lipofuscinosis 6 ovarian neoplasm psoriasis schizophrenia kidney neoplasm lung benign neoplasm malignant tumor of neck glioblastoma neoplasm of neck head and neck neoplasm osteosarcoma amyotrophic lateral sclerosis Pick disease atypical teratoid rhabdoid tumor breast cancer juvenile dermatomyositis large cell medulloblastoma gastric cancer hereditary diffuse gastric adenocarcinoma primitive neuroectodermal tumor bipolar disorder cancer IgA glomerulonephritis kidney cancer

Protein Modification Annotation

Modified Residue(s)
Chain	Residue(s)	Description
A, B	NEP	Parent Component: HIS RESID: AA0035 PSI-MOD : 1'-phospho-L-histidine MOD:00044

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.