3ZO2

The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors

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
Protein Modification Annotation

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)	8033774	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	e3zo2A1	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	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)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A	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	CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA	protein binding binding protein domain specific binding protein serine/threonine kinase activity catalytic activity, acting on a protein kinase activity AMP-activated protein kinase activity protein kinase activity transferase activity catalytic activity phosphotransferase activity, alcohol group as acceptor transferase activity, transferring phosphorus-containing groups cyclic nucleotide-dependent protein kinase activity cAMP-dependent protein kinase activity protein binding binding protein domain specific binding protein serine/threonine kinase activity catalytic activity, acting on a protein kinase activity AMP-activated protein kinase activity protein kinase activity transferase activity catalytic activity phosphotransferase activity, alcohol group as acceptor transferase activity, transferring phosphorus-containing groups cyclic nucleotide-dependent protein kinase activity cAMP-dependent protein kinase activity protein serine kinase activity 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 kinase A binding protein kinase A regulatory subunit binding	cellular response to stimulus cellular response to heat response to stimulus cellular response to stress response to stress response to heat response to abiotic stimulus cellular process response to temperature stimulus regulation of biological process regulation of cellular process signaling biological regulation intracellular signal transduction cellular response to stimulus cellular response to heat response to stimulus cellular response to stress response to stress response to heat response to abiotic stimulus cellular process response to temperature stimulus regulation of biological process regulation of cellular process signaling biological regulation intracellular signal transduction cell communication protein kinase A signaling 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 negative regulation of signaling negative regulation of intracellular signal transduction negative regulation of biological process regulation of signal transduction negative regulation of cell communication negative regulation of TORC1 signaling regulation of intracellular signal transduction negative regulation of TOR signaling negative regulation of cellular process regulation of TORC1 signaling TOR signaling regulation of signaling regulation of TOR signaling negative regulation of response to stimulus negative regulation of signal transduction regulation of response to stimulus regulation of cell communication TORC1 signaling peptidyl-serine modification peptidyl-serine phosphorylation peptidyl-amino acid modification developmental process multicellular organismal process formation of primary germ layer mesoderm morphogenesis embryonic morphogenesis tissue development embryo development gastrulation tissue morphogenesis anatomical structure morphogenesis multicellular organism development anatomical structure development anatomical structure formation involved in morphogenesis mesoderm formation mesoderm development	membrane-bounded organelle intracellular organelle cellular anatomical structure intracellular anatomical structure mitochondrion organelle cytoplasm intracellular membrane-bounded organelle cytosol cell projection cilium 9+2 motile cilium sperm flagellum motile cilium membrane-bounded organelle intracellular organelle cellular anatomical structure intracellular anatomical structure mitochondrion organelle cytoplasm intracellular membrane-bounded organelle cytosol cell projection cilium 9+2 motile cilium sperm flagellum motile cilium plasma membrane bounded cell projection cell periphery plasma membrane membrane neuromuscular junction synapse cell junction perinuclear region of cytoplasm protein kinase complex transferase complex, transferring phosphorus-containing groups protein-containing complex catalytic complex cAMP-dependent protein kinase complex serine/threonine protein kinase complex transferase complex intracellular protein-containing complex nucleus acrosomal vesicle intracellular vesicle endomembrane system cytoplasmic vesicle secretory granule secretory vesicle vesicle
B [auth I]	CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA	enzyme regulator activity enzyme inhibitor activity protein kinase regulator activity cAMP-dependent protein kinase regulator activity protein kinase inhibitor activity molecular function inhibitor activity molecular function regulator activity cAMP-dependent protein kinase inhibitor activity protein serine/threonine kinase inhibitor activity kinase inhibitor activity kinase regulator activity	regulation of cellular process regulation of protein modification process regulation of catalytic activity regulation of protein phosphorylation negative regulation of biological process negative regulation of phosphate metabolic process negative regulation of catalytic activity regulation of transferase activity regulation of primary metabolic process negative regulation of kinase activity negative regulation of transferase activity regulation of phosphate metabolic process phosphate-containing compound metabolic process negative regulation of protein modification process negative regulation of cellular process regulation of cellular process regulation of protein modification process regulation of catalytic activity regulation of protein phosphorylation negative regulation of biological process negative regulation of phosphate metabolic process negative regulation of catalytic activity regulation of transferase activity regulation of primary metabolic process negative regulation of kinase activity negative regulation of transferase activity regulation of phosphate metabolic process phosphate-containing compound metabolic process negative regulation of protein modification process negative regulation of cellular process protein metabolic process phosphorus metabolic process protein modification process negative regulation of protein metabolic process negative regulation of macromolecule metabolic process regulation of biological process protein phosphorylation phosphorylation regulation of protein metabolic process negative regulation of metabolic process biological regulation negative regulation of molecular function primary metabolic process negative regulation of protein kinase activity regulation of protein kinase activity regulation of macromolecule metabolic process regulation of molecular function regulation of kinase activity negative regulation of protein phosphorylation macromolecule modification negative regulation of phosphorus metabolic process regulation of phosphorylation regulation of phosphorus metabolic process cellular process metabolic process macromolecule metabolic process negative regulation of phosphorylation regulation of metabolic process	cellular anatomical structure intracellular anatomical structure cytoplasm membrane-bounded organelle intracellular organelle organelle nucleus intracellular membrane-bounded organelle

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A	IPR017441	Protein kinase, ATP binding site	Binding Site
A	IPR000719	Protein kinase domain	Domain
A	IPR000961	AGC-kinase, C-terminal	Domain
A	IPR011009	Protein kinase-like domain superfamily	Homologous Superfamily
A	IPR044109	cAMP-dependent protein kinase catalytic subunit	Family
A	IPR008271	Serine/threonine-protein kinase, active site	Active Site
B [auth I]	IPR004171	cAMP-dependent protein kinase inhibitor	Family

Protein Modification Annotation

Modified Residue(s)
Chain	Residue(s)	Description
A	SEP	Parent Component: SER RESID: AA0037 PSI-MOD : O-phospho-L-serine MOD:00046
A	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 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.