3IW4

Crystal structure of PKC alpha in complex with NVP-AEB071

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	d3iw4a_	Alpha and beta proteins (a+b)	Protein kinase-like (PK-like)	Protein kinase-like (PK-like)	Protein kinases, catalytic subunit	automated matches	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d3iw4c_	Alpha and beta proteins (a+b)	Protein kinase-like (PK-like)	Protein kinase-like (PK-like)	Protein kinases, catalytic subunit	automated matches	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d3iw4b_	Alpha and beta proteins (a+b)	Protein kinase-like (PK-like)	Protein kinase-like (PK-like)	Protein kinases, catalytic subunit	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	Protein kinase-like (PK-like)	8057948	3000066	SCOP2B (2022-06-29)
C	SCOP2 Family	Protein kinases catalytic domain-like	8018916	4003661	SCOP2 (2022-06-29)
C	SCOP2 Superfamily	Protein kinase-like (PK-like)	8057948	3000066	SCOP2 (2022-06-29)
B	SCOP2B Superfamily	Protein kinase-like (PK-like)	8057948	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	e3iw4A1	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)
C	Pkinase_Tyr	e3iw4C1	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	e3iw4B1	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)
C	3.30.200.20	Alpha Beta	2-Layer Sandwich	Phosphorylase Kinase	domain 1	CATH (4.3.0)
C	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, C	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, C	Protein kinase C alpha type	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 catalytic activity, acting on a protein kinase activity protein kinase activity transferase activity catalytic activity phosphotransferase activity, alcohol group as acceptor transferase activity, transferring phosphorus-containing groups protein serine/threonine kinase activity histone H3T6 kinase activity histone H3 kinase activity histone modifying activity histone kinase activity calcium,diacylglycerol-dependent serine/threonine kinase activity diacylglycerol-dependent serine/threonine kinase activity calcium-dependent protein kinase activity calcium-dependent protein serine/threonine kinase activity protein serine kinase activity cell adhesion molecule binding protein-containing complex binding protein binding integrin binding signaling receptor binding cation binding transition metal ion binding zinc ion binding metal ion binding enzyme binding	membrane organization cellular component disassembly nuclear membrane disassembly mitotic cell cycle membrane disassembly nuclear membrane organization cellular component organization mitotic nuclear membrane disassembly nucleus organization organelle organization mitotic cell cycle process nuclear envelope organization cellular process cell cycle membrane organization cellular component disassembly nuclear membrane disassembly mitotic cell cycle membrane disassembly nuclear membrane organization cellular component organization mitotic nuclear membrane disassembly nucleus organization organelle organization mitotic cell cycle process nuclear envelope organization cellular process cell cycle cellular component organization or biogenesis endomembrane system organization cell cycle process organonitrogen compound metabolic process protein phosphorylation phosphorylation cellular metabolic process primary metabolic process organic substance metabolic process macromolecule modification peptidyl-amino acid modification phosphate-containing compound metabolic process metabolic process peptidyl-threonine modification protein metabolic process macromolecule metabolic process protein modification process phosphorus metabolic process peptidyl-threonine phosphorylation cellular response to stimulus positive regulation of cell communication regulation of cellular process positive regulation of signal transduction response to stimulus signaling positive regulation of biological process regulation of signal transduction cell communication positive regulation of response to stimulus positive regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway signal transduction regulation of G protein-coupled receptor signaling pathway positive regulation of cellular process regulation of biological process regulation of signaling biological regulation adenylate cyclase-activating G protein-coupled receptor signaling pathway positive regulation of G protein-coupled receptor signaling pathway regulation of response to stimulus adenylate cyclase-modulating G protein-coupled receptor signaling pathway regulation of cell communication G protein-coupled receptor signaling pathway regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway positive regulation of signaling post-translational protein modification regulation of lipopolysaccharide-mediated signaling pathway positive regulation of response to biotic stimulus regulation of response to biotic stimulus response to organic substance biological process involved in interspecies interaction between organisms response to lipid regulation of response to external stimulus cellular response to lipopolysaccharide response to biotic stimulus lipopolysaccharide-mediated signaling pathway cellular response to biotic stimulus positive regulation of response to external stimulus response to bacterium cellular response to organic substance response to external biotic stimulus cell surface receptor signaling pathway response to other organism 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 cellular response to chemical stimulus response to chemical cellular response to lipid positive regulation of lipopolysaccharide-mediated signaling pathway response to molecule of bacterial origin cell adhesion muscle hypertrophy regulation of muscle adaptation multicellular organismal process system process positive regulation of cardiac muscle hypertrophy regulation of system process striated muscle hypertrophy regulation of muscle system process muscle system process regulation of cardiac muscle hypertrophy regulation of muscle hypertrophy muscle adaptation positive regulation of muscle hypertrophy cardiac muscle hypertrophy positive regulation of multicellular organismal process regulation of multicellular organismal process peptidyl-serine modification peptidyl-serine phosphorylation myeloid leukocyte differentiation regulation of leukocyte differentiation cellular developmental process regulation of developmental process cell development regulation of cell differentiation mononuclear cell differentiation regulation of cell development positive regulation of developmental process multicellular organism development positive regulation of cell differentiation positive regulation of hemopoiesis cell differentiation anatomical structure development regulation of immune system process regulation of macrophage differentiation positive regulation of immune system process developmental 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 immune system process positive regulation of myeloid cell differentiation regulation of hemopoiesis positive regulation of leukocyte differentiation leukocyte differentiation regulation of glial cell apoptotic process negative regulation of programmed cell death regulation of apoptotic process negative regulation of biological process regulation of programmed cell death negative regulation of glial cell apoptotic process cell death glial cell apoptotic process negative regulation of apoptotic process negative regulation of cellular process apoptotic process programmed cell death homeostatic process regulation of bone remodeling tissue homeostasis regulation of tissue remodeling regulation of bone resorption bone resorption multicellular organismal-level homeostasis tissue remodeling bone remodeling anatomical structure homeostasis positive regulation of bone resorption positive regulation of dense core granule biogenesis regulation of dense core granule biogenesis positive regulation of cellular component biogenesis regulation of cellular component biogenesis cellular component biogenesis dense core granule biogenesis negative regulation of cellular metabolic process regulation of primary metabolic process nucleobase-containing compound metabolic process post-transcriptional regulation of gene expression regulation of RNA metabolic process organic substance biosynthetic process regulation of nucleobase-containing compound metabolic process regulation of biological quality RNA catabolic process mRNA catabolic process negative regulation of metabolic process regulation of cellular metabolic process negative regulation of cellular biosynthetic process nucleobase-containing compound catabolic process organic cyclic compound metabolic process regulation of gene expression negative regulation of gene expression biosynthetic process negative regulation of macromolecule biosynthetic process nucleic acid catabolic process regulation of macromolecule biosynthetic process regulation of metabolic process catabolic process cellular biosynthetic process RNA metabolic process macromolecule catabolic process regulation of mRNA catabolic process negative regulation of macromolecule metabolic process regulation of biosynthetic process regulation of macromolecule metabolic process regulation of catabolic process gene expression mRNA metabolic process macromolecule biosynthetic process nucleic acid metabolic process organic cyclic compound catabolic process regulation of mRNA stability regulation of cellular biosynthetic process negative regulation of biosynthetic process regulation of RNA stability regulation of mRNA metabolic process organic substance catabolic process positive regulation of locomotion regulation of cell motility endothelial cell migration positive regulation of cell migration positive regulation of epithelial cell migration tissue migration ameboidal-type cell migration positive regulation of cell motility regulation of cell migration regulation of endothelial cell migration cell migration epithelial cell migration cell motility regulation of epithelial cell migration locomotion epithelium migration regulation of locomotion positive regulation of endothelial cell migration intracellular signal transduction positive regulation of ERK1 and ERK2 cascade regulation of intracellular signal transduction intracellular signaling cassette positive regulation of MAPK cascade positive regulation of intracellular signal transduction regulation of MAPK cascade MAPK cascade ERK1 and ERK2 cascade regulation of ERK1 and ERK2 cascade blood vessel morphogenesis tube development angiogenesis vasculature development circulatory system development anatomical structure morphogenesis tube morphogenesis anatomical structure formation involved in morphogenesis blood vessel development system development cellular response to nitrogen compound response to angiotensin positive regulation of angiotensin-activated signaling pathway response to peptide hormone angiotensin-activated signaling pathway cellular response to angiotensin cellular response to endogenous stimulus response to hormone cellular response to hormone stimulus response to endogenous stimulus response to organonitrogen compound cellular response to peptide hormone stimulus response to nitrogen compound regulation of angiotensin-activated signaling pathway cellular response to organonitrogen compound response to cytokine response to interleukin-1 desmosome organization desmosome assembly cell junction organization cellular component assembly cell junction assembly cell-cell junction assembly cell-cell junction organization positive regulation of cell adhesion regulation of cell adhesion regulation of blood vessel endothelial cell migration blood vessel endothelial cell migration positive regulation of blood vessel endothelial cell migration regulation of vasculature development regulation of anatomical structure morphogenesis positive regulation of angiogenesis positive regulation of vasculature development regulation of angiogenesis regulation of body fluid levels homotypic cell-cell adhesion regulation of cell activation cell-cell adhesion response to stress coagulation regulation of cell-cell adhesion response to wounding wound healing regulation of homotypic cell-cell adhesion cell activation hemostasis platelet aggregation blood coagulation regulation of platelet activation regulation of platelet aggregation platelet activation apoptotic signaling pathway positive regulation of cell cycle regulation of mitotic cell cycle positive regulation of mitotic cell cycle regulation of cell cycle cell population proliferation positive regulation of cell population proliferation endothelial cell proliferation positive regulation of epithelial cell proliferation regulation of endothelial cell proliferation regulation of cell population proliferation positive regulation of endothelial cell proliferation regulation of epithelial cell proliferation epithelial cell proliferation	cell periphery protein-containing complex plasma membrane protein complex membrane plasma membrane membrane protein complex alphav-beta3 integrin-PKCalpha complex cellular anatomical entity extracellular exosome membrane-bounded organelle extracellular vesicle extracellular organelle extracellular region organelle cell periphery protein-containing complex plasma membrane protein complex membrane plasma membrane membrane protein complex alphav-beta3 integrin-PKCalpha complex cellular anatomical entity extracellular exosome membrane-bounded organelle extracellular vesicle extracellular organelle extracellular region organelle extracellular space vesicle extracellular membrane-bounded organelle mitochondrial membrane intracellular anatomical structure mitochondrion intracellular membrane-bounded organelle intracellular organelle organelle envelope mitochondrial envelope cytoplasm organelle membrane cytosol perinuclear region of cytoplasm cilium plasma membrane bounded cell projection ciliary basal body cell projection microtubule organizing center cytoskeleton intracellular non-membrane-bounded organelle microtubule cytoskeleton non-membrane-bounded organelle nucleus membrane-enclosed lumen intracellular organelle lumen nucleoplasm organelle lumen nuclear lumen endoplasmic reticulum endomembrane system

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C	IPR020454	Diacylglycerol/phorbol-ester binding	Domain
A, B, C	IPR000719	Protein kinase domain	Domain
A, B, C	IPR017892	Protein kinase, C-terminal	Domain
A, B, C	IPR017441	Protein kinase, ATP binding site	Binding Site
A, B, C	IPR000008	C2 domain	Domain
A, B, C	IPR000961	AGC-kinase, C-terminal	Domain
A, B, C	IPR034663	Classical Protein Kinase C alpha, catalytic domain	Domain
A, B, C	IPR014375	Protein kinase C, alpha/beta/gamma types	Family
A, B, C	IPR002219	Protein kinase C-like, phorbol ester/diacylglycerol-binding domain	Domain
A, B, C	IPR011009	Protein kinase-like domain superfamily	Homologous Superfamily
A, B, C	IPR035892	C2 domain superfamily	Homologous Superfamily
A, B, C	IPR046349	C1-like domain superfamily	Homologous Superfamily
A, B, C	IPR008271	Serine/threonine-protein kinase, active site	Active Site

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C	Pharos: P17252	nephrogenic diabetes insipidus occupational asthma glioblastoma Cardiomegaly intestinal cancer intestinal neoplasm large cell medulloblastoma lung carcinoma adrenal cortex carcinoma pancreatic intraductal papillary-mucinous neoplasm atypical teratoid rhabdoid tumor primitive neuroectodermal tumor schizoaffective disorder common variable immunodeficiency diabetes insipidus, nephrogenic, X-linked nephrogenic diabetes insipidus occupational asthma glioblastoma Cardiomegaly intestinal cancer intestinal neoplasm large cell medulloblastoma lung carcinoma adrenal cortex carcinoma pancreatic intraductal papillary-mucinous neoplasm atypical teratoid rhabdoid tumor primitive neuroectodermal tumor schizoaffective disorder common variable immunodeficiency diabetes insipidus, nephrogenic, X-linked lung adenocarcinoma MALT lymphoma non-alcoholic fatty liver disease adenoma ovarian cancer pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia breast cancer psoriasis schizophrenia tuberculosis invasive ductal breast carcinoma lung cancer medulloblastoma pancreatic intraductal papillary-mucinous carcinoma astrocytic tumor cancer colorectal adenocarcinoma spina bifida diabetes insipidus, nephrogenic, autosomal dilated cardiomyopathy

Protein Modification Annotation

Modified Residue(s)
Chain	Residue(s)	Description
A, B, C	SEP	Parent Component: SER RESID: AA0037 PSI-MOD : O-phospho-L-serine MOD:00046
A, B, C	TPO	Parent Component: THR RESID: AA0037 , AA0038 PSI-MOD : O-phospho-L-serine MOD:00046 , O-phospho-L-threonine MOD:00047

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.