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SummaryStructural detailsExperimental detailsFunctional detailsSequence NeighborHistoryDownloads

3AGL

Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1039

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0000287molecular_functionmagnesium ion binding
A0001669cellular_componentacrosomal vesicle
A0002027biological_processregulation of heart rate
A0003091biological_processrenal water homeostasis
A0004672molecular_functionprotein kinase activity
A0004674molecular_functionprotein serine/threonine kinase activity
A0004691molecular_functioncAMP-dependent protein kinase activity
A0004712molecular_functionprotein serine/threonine/tyrosine kinase activity
A0005515molecular_functionprotein binding
A0005524molecular_functionATP binding
A0005634cellular_componentnucleus
A0005654cellular_componentnucleoplasm
A0005737cellular_componentcytoplasm
A0005739cellular_componentmitochondrion
A0005759cellular_componentmitochondrial matrix
A0005811cellular_componentlipid droplet
A0005813cellular_componentcentrosome
A0005829cellular_componentcytosol
A0005886cellular_componentplasma membrane
A0005930cellular_componentaxoneme
A0005952cellular_componentcAMP-dependent protein kinase complex
A0006338biological_processchromatin remodeling
A0006397biological_processmRNA processing
A0006468biological_processprotein phosphorylation
A0007189biological_processadenylate cyclase-activating G protein-coupled receptor signaling pathway
A0007193biological_processadenylate cyclase-inhibiting G protein-coupled receptor signaling pathway
A0010881biological_processregulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion
A0010898biological_processpositive regulation of triglyceride catabolic process
A0016020cellular_componentmembrane
A0016241biological_processregulation of macroautophagy
A0016301molecular_functionkinase activity
A0016607cellular_componentnuclear speck
A0016740molecular_functiontransferase activity
A0019221biological_processcytokine-mediated signaling pathway
A0019870molecular_functionpotassium channel inhibitor activity
A0019901molecular_functionprotein kinase binding
A0019904molecular_functionprotein domain specific binding
A0030007biological_processintracellular potassium ion homeostasis
A0030145molecular_functionmanganese ion binding
A0031410cellular_componentcytoplasmic vesicle
A0031514cellular_componentmotile cilium
A0031594cellular_componentneuromuscular junction
A0032024biological_processpositive regulation of insulin secretion
A0032703biological_processnegative regulation of interleukin-2 production
A0034237molecular_functionprotein kinase A regulatory subunit binding
A0034380biological_processhigh-density lipoprotein particle assembly
A0034605biological_processcellular response to heat
A0034704cellular_componentcalcium channel complex
A0035694biological_processmitochondrial protein catabolic process
A0036126cellular_componentsperm flagellum
A0044853cellular_componentplasma membrane raft
A0045542biological_processpositive regulation of cholesterol biosynthetic process
A0045667biological_processregulation of osteoblast differentiation
A0045722biological_processpositive regulation of gluconeogenesis
A0045820biological_processnegative regulation of glycolytic process
A0048240biological_processsperm capacitation
A0048471cellular_componentperinuclear region of cytoplasm
A0050766biological_processpositive regulation of phagocytosis
A0050850biological_processpositive regulation of calcium-mediated signaling
A0051726biological_processregulation of cell cycle
A0055117biological_processregulation of cardiac muscle contraction
A0061136biological_processregulation of proteasomal protein catabolic process
A0070062cellular_componentextracellular exosome
A0070507biological_processregulation of microtubule cytoskeleton organization
A0071333biological_processcellular response to glucose stimulus
A0071377biological_processcellular response to glucagon stimulus
A0071872biological_processcellular response to epinephrine stimulus
A0086064biological_processcell communication by electrical coupling involved in cardiac conduction
A0097546cellular_componentciliary base
A0097700biological_processvascular endothelial cell response to laminar fluid shear stress
A0098794cellular_componentpostsynapse
A0098978cellular_componentglutamatergic synapse
A0099103molecular_functionchannel activator activity
A0099170biological_processpostsynaptic modulation of chemical synaptic transmission
A0106310molecular_functionprotein serine kinase activity
A0120186biological_processnegative regulation of protein localization to chromatin
A0140198molecular_functionhistone H1-4S35 kinase activity
A1903779biological_processregulation of cardiac conduction
A1904262biological_processnegative regulation of TORC1 signaling
A1904539biological_processnegative regulation of glycolytic process through fructose-6-phosphate
A2000810biological_processregulation of bicellular tight junction assembly
B0000166molecular_functionnucleotide binding
B0000287molecular_functionmagnesium ion binding
B0001669cellular_componentacrosomal vesicle
B0002027biological_processregulation of heart rate
B0003091biological_processrenal water homeostasis
B0004672molecular_functionprotein kinase activity
B0004674molecular_functionprotein serine/threonine kinase activity
B0004691molecular_functioncAMP-dependent protein kinase activity
B0004712molecular_functionprotein serine/threonine/tyrosine kinase activity
B0005515molecular_functionprotein binding
B0005524molecular_functionATP binding
B0005634cellular_componentnucleus
B0005654cellular_componentnucleoplasm
B0005737cellular_componentcytoplasm
B0005739cellular_componentmitochondrion
B0005759cellular_componentmitochondrial matrix
B0005811cellular_componentlipid droplet
B0005813cellular_componentcentrosome
B0005829cellular_componentcytosol
B0005886cellular_componentplasma membrane
B0005930cellular_componentaxoneme
B0005952cellular_componentcAMP-dependent protein kinase complex
B0006338biological_processchromatin remodeling
B0006397biological_processmRNA processing
B0006468biological_processprotein phosphorylation
B0007189biological_processadenylate cyclase-activating G protein-coupled receptor signaling pathway
B0007193biological_processadenylate cyclase-inhibiting G protein-coupled receptor signaling pathway
B0010881biological_processregulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion
B0010898biological_processpositive regulation of triglyceride catabolic process
B0016020cellular_componentmembrane
B0016241biological_processregulation of macroautophagy
B0016301molecular_functionkinase activity
B0016607cellular_componentnuclear speck
B0016740molecular_functiontransferase activity
B0019221biological_processcytokine-mediated signaling pathway
B0019870molecular_functionpotassium channel inhibitor activity
B0019901molecular_functionprotein kinase binding
B0019904molecular_functionprotein domain specific binding
B0030007biological_processintracellular potassium ion homeostasis
B0030145molecular_functionmanganese ion binding
B0031410cellular_componentcytoplasmic vesicle
B0031514cellular_componentmotile cilium
B0031594cellular_componentneuromuscular junction
B0032024biological_processpositive regulation of insulin secretion
B0032703biological_processnegative regulation of interleukin-2 production
B0034237molecular_functionprotein kinase A regulatory subunit binding
B0034380biological_processhigh-density lipoprotein particle assembly
B0034605biological_processcellular response to heat
B0034704cellular_componentcalcium channel complex
B0035694biological_processmitochondrial protein catabolic process
B0036126cellular_componentsperm flagellum
B0044853cellular_componentplasma membrane raft
B0045542biological_processpositive regulation of cholesterol biosynthetic process
B0045667biological_processregulation of osteoblast differentiation
B0045722biological_processpositive regulation of gluconeogenesis
B0045820biological_processnegative regulation of glycolytic process
B0048240biological_processsperm capacitation
B0048471cellular_componentperinuclear region of cytoplasm
B0050766biological_processpositive regulation of phagocytosis
B0050850biological_processpositive regulation of calcium-mediated signaling
B0051726biological_processregulation of cell cycle
B0055117biological_processregulation of cardiac muscle contraction
B0061136biological_processregulation of proteasomal protein catabolic process
B0070062cellular_componentextracellular exosome
B0070507biological_processregulation of microtubule cytoskeleton organization
B0071333biological_processcellular response to glucose stimulus
B0071377biological_processcellular response to glucagon stimulus
B0071872biological_processcellular response to epinephrine stimulus
B0086064biological_processcell communication by electrical coupling involved in cardiac conduction
B0097546cellular_componentciliary base
B0097700biological_processvascular endothelial cell response to laminar fluid shear stress
B0098794cellular_componentpostsynapse
B0098978cellular_componentglutamatergic synapse
B0099103molecular_functionchannel activator activity
B0099170biological_processpostsynaptic modulation of chemical synaptic transmission
B0106310molecular_functionprotein serine kinase activity
B0120186biological_processnegative regulation of protein localization to chromatin
B0140198molecular_functionhistone H1-4S35 kinase activity
B1903779biological_processregulation of cardiac conduction
B1904262biological_processnegative regulation of TORC1 signaling
B1904539biological_processnegative regulation of glycolytic process through fructose-6-phosphate
B2000810biological_processregulation of bicellular tight junction assembly
Functional Information from PDB Data
site_idAC1
Number of Residues28
DetailsBINDING SITE FOR RESIDUE A03 A 351
ChainResidue
AGLY52
ATYR122
AVAL123
AGLU127
APHE129
AARG133
APRO169
AGLU170
ALEU173
ATHR183
AGLU203
ASER53
AGLU230
APHE327
ATYR330
AHOH362
AHOH370
AHOH411
AHOH447
AHOH466
BLYS192
APHE54
AGLY55
AVAL57
AALA70
AVAL104
AMET120
AGLU121
site_idAC2
Number of Residues27
DetailsBINDING SITE FOR RESIDUE A03 B 351
ChainResidue
ALYS192
BLEU49
BTHR51
BGLY52
BSER53
BPHE54
BGLY55
BVAL57
BALA70
BVAL104
BGLU121
BTYR122
BVAL123
BGLU127
BPHE129
BARG133
BPRO169
BGLU170
BLEU173
BTHR183
BGLU230
BPHE327
BHOH375
BHOH390
BHOH401
BHOH446
BHOH448
Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGTGSFGRVMlVkhketgnh..........YAMK
ChainResidueDetails
ALEU49-LYS72
site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. LiYrDLKpeNLLI
ChainResidueDetails
ALEU162-ILE174
Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails
site_idSWS_FT_FI2
Number of Residues16
DetailsBinding site: {}
ChainResidueDetails
site_idSWS_FT_FI3
Number of Residues20
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails
site_idSWS_FT_FI4
Number of Residues1
DetailsModified residue: {"description":"Phosphoserine; by autocatalysis","evidences":[{"source":"UniProtKB","id":"P05132","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails
site_idSWS_FT_FI5
Number of Residues2
DetailsModified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI6
Number of Residues2
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P05132","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails
site_idSWS_FT_FI7
Number of Residues2
DetailsModified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"12372837","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails
site_idSWS_FT_FI8
Number of Residues2
DetailsModified residue: {"description":"Phosphothreonine; by PDPK1","evidences":[{"source":"PubMed","id":"12372837","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16765046","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20137943","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20481595","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20732331","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21774789","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2010","submissionDatabase":"PDB data bank","title":"Experimental active site mapping as a starting point to fragment-based lead discovery.","authors":["Behnen J.","Koester H.","Ritschel T.","Neudert G.","Heine A.","Klebe G."]}}]}
ChainResidueDetails
site_idSWS_FT_FI9
Number of Residues2
DetailsModified residue: {"description":"Phosphotyrosine","evidences":[{"source":"UniProtKB","id":"P05132","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails
site_idSWS_FT_FI10
Number of Residues2
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"16765046","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20137943","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20481595","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20732331","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21774789","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2010","submissionDatabase":"PDB data bank","title":"Experimental active site mapping as a starting point to fragment-based lead discovery.","authors":["Behnen J.","Koester H.","Ritschel T.","Neudert G.","Heine A.","Klebe G."]}},{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

246704

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