5IZJ

Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0000287	molecular_function	magnesium ion binding
A	0001669	cellular_component	acrosomal vesicle
A	0001707	biological_process	mesoderm formation
A	0001843	biological_process	neural tube closure
A	0002027	biological_process	regulation of heart rate
A	0003091	biological_process	renal water homeostasis
A	0004672	molecular_function	protein kinase activity
A	0004674	molecular_function	protein serine/threonine kinase activity
A	0004691	molecular_function	cAMP-dependent protein kinase activity
A	0004712	molecular_function	protein serine/threonine/tyrosine kinase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005634	cellular_component	nucleus
A	0005654	cellular_component	nucleoplasm
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0005813	cellular_component	centrosome
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0005930	cellular_component	axoneme
A	0005952	cellular_component	cAMP-dependent protein kinase complex
A	0006338	biological_process	chromatin remodeling
A	0006397	biological_process	mRNA processing
A	0006468	biological_process	protein phosphorylation
A	0006611	biological_process	protein export from nucleus
A	0007189	biological_process	adenylate cyclase-activating G protein-coupled receptor signaling pathway
A	0007193	biological_process	adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway
A	0010881	biological_process	regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion
A	0016020	cellular_component	membrane
A	0016241	biological_process	regulation of macroautophagy
A	0016301	molecular_function	kinase activity
A	0016607	cellular_component	nuclear speck
A	0016740	molecular_function	transferase activity
A	0019221	biological_process	cytokine-mediated signaling pathway
A	0019870	molecular_function	potassium channel inhibitor activity
A	0019901	molecular_function	protein kinase binding
A	0019904	molecular_function	protein domain specific binding
A	0021904	biological_process	dorsal/ventral neural tube patterning
A	0030007	biological_process	intracellular potassium ion homeostasis
A	0030145	molecular_function	manganese ion binding
A	0031410	cellular_component	cytoplasmic vesicle
A	0031514	cellular_component	motile cilium
A	0031594	cellular_component	neuromuscular junction
A	0032024	biological_process	positive regulation of insulin secretion
A	0032703	biological_process	negative regulation of interleukin-2 production
A	0034237	molecular_function	protein kinase A regulatory subunit binding
A	0034380	biological_process	high-density lipoprotein particle assembly
A	0034605	biological_process	cellular response to heat
A	0034704	cellular_component	calcium channel complex
A	0035694	biological_process	mitochondrial protein catabolic process
A	0036126	cellular_component	sperm flagellum
A	0044853	cellular_component	plasma membrane raft
A	0045542	biological_process	positive regulation of cholesterol biosynthetic process
A	0045667	biological_process	regulation of osteoblast differentiation
A	0045722	biological_process	positive regulation of gluconeogenesis
A	0045879	biological_process	negative regulation of smoothened signaling pathway
A	0046827	biological_process	positive regulation of protein export from nucleus
A	0048240	biological_process	sperm capacitation
A	0048471	cellular_component	perinuclear region of cytoplasm
A	0050766	biological_process	positive regulation of phagocytosis
A	0050804	biological_process	modulation of chemical synaptic transmission
A	0050850	biological_process	positive regulation of calcium-mediated signaling
A	0051726	biological_process	regulation of cell cycle
A	0055117	biological_process	regulation of cardiac muscle contraction
A	0061136	biological_process	regulation of proteasomal protein catabolic process
A	0070062	cellular_component	extracellular exosome
A	0070417	biological_process	cellular response to cold
A	0070507	biological_process	regulation of microtubule cytoskeleton organization
A	0070613	biological_process	regulation of protein processing
A	0071333	biological_process	cellular response to glucose stimulus
A	0071374	biological_process	cellular response to parathyroid hormone stimulus
A	0071377	biological_process	cellular response to glucagon stimulus
A	0071872	biological_process	cellular response to epinephrine stimulus
A	0086064	biological_process	cell communication by electrical coupling involved in cardiac conduction
A	0097546	cellular_component	ciliary base
A	0097700	biological_process	vascular endothelial cell response to laminar fluid shear stress
A	0098794	cellular_component	postsynapse
A	0098978	cellular_component	glutamatergic synapse
A	0099103	molecular_function	channel activator activity
A	0099170	biological_process	postsynaptic modulation of chemical synaptic transmission
A	0106310	molecular_function	protein serine kinase activity
A	0120186	biological_process	negative regulation of protein localization to chromatin
A	0140198	molecular_function	histone H1-4S35 kinase activity
A	1903779	biological_process	regulation of cardiac conduction
A	1904262	biological_process	negative regulation of TORC1 signaling
A	1904539	biological_process	negative regulation of glycolytic process through fructose-6-phosphate
A	1990044	biological_process	protein localization to lipid droplet
A	2000810	biological_process	regulation of bicellular tight junction assembly
B	0000166	molecular_function	nucleotide binding
B	0000287	molecular_function	magnesium ion binding
B	0001669	cellular_component	acrosomal vesicle
B	0001707	biological_process	mesoderm formation
B	0001843	biological_process	neural tube closure
B	0002027	biological_process	regulation of heart rate
B	0003091	biological_process	renal water homeostasis
B	0004672	molecular_function	protein kinase activity
B	0004674	molecular_function	protein serine/threonine kinase activity
B	0004691	molecular_function	cAMP-dependent protein kinase activity
B	0004712	molecular_function	protein serine/threonine/tyrosine kinase activity
B	0005515	molecular_function	protein binding
B	0005524	molecular_function	ATP binding
B	0005634	cellular_component	nucleus
B	0005654	cellular_component	nucleoplasm
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005759	cellular_component	mitochondrial matrix
B	0005813	cellular_component	centrosome
B	0005829	cellular_component	cytosol
B	0005886	cellular_component	plasma membrane
B	0005930	cellular_component	axoneme
B	0005952	cellular_component	cAMP-dependent protein kinase complex
B	0006338	biological_process	chromatin remodeling
B	0006397	biological_process	mRNA processing
B	0006468	biological_process	protein phosphorylation
B	0006611	biological_process	protein export from nucleus
B	0007189	biological_process	adenylate cyclase-activating G protein-coupled receptor signaling pathway
B	0007193	biological_process	adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway
B	0010881	biological_process	regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion
B	0016020	cellular_component	membrane
B	0016241	biological_process	regulation of macroautophagy
B	0016301	molecular_function	kinase activity
B	0016607	cellular_component	nuclear speck
B	0016740	molecular_function	transferase activity
B	0019221	biological_process	cytokine-mediated signaling pathway
B	0019870	molecular_function	potassium channel inhibitor activity
B	0019901	molecular_function	protein kinase binding
B	0019904	molecular_function	protein domain specific binding
B	0021904	biological_process	dorsal/ventral neural tube patterning
B	0030007	biological_process	intracellular potassium ion homeostasis
B	0030145	molecular_function	manganese ion binding
B	0031410	cellular_component	cytoplasmic vesicle
B	0031514	cellular_component	motile cilium
B	0031594	cellular_component	neuromuscular junction
B	0032024	biological_process	positive regulation of insulin secretion
B	0032703	biological_process	negative regulation of interleukin-2 production
B	0034237	molecular_function	protein kinase A regulatory subunit binding
B	0034380	biological_process	high-density lipoprotein particle assembly
B	0034605	biological_process	cellular response to heat
B	0034704	cellular_component	calcium channel complex
B	0035694	biological_process	mitochondrial protein catabolic process
B	0036126	cellular_component	sperm flagellum
B	0044853	cellular_component	plasma membrane raft
B	0045542	biological_process	positive regulation of cholesterol biosynthetic process
B	0045667	biological_process	regulation of osteoblast differentiation
B	0045722	biological_process	positive regulation of gluconeogenesis
B	0045879	biological_process	negative regulation of smoothened signaling pathway
B	0046827	biological_process	positive regulation of protein export from nucleus
B	0048240	biological_process	sperm capacitation
B	0048471	cellular_component	perinuclear region of cytoplasm
B	0050766	biological_process	positive regulation of phagocytosis
B	0050804	biological_process	modulation of chemical synaptic transmission
B	0050850	biological_process	positive regulation of calcium-mediated signaling
B	0051726	biological_process	regulation of cell cycle
B	0055117	biological_process	regulation of cardiac muscle contraction
B	0061136	biological_process	regulation of proteasomal protein catabolic process
B	0070062	cellular_component	extracellular exosome
B	0070417	biological_process	cellular response to cold
B	0070507	biological_process	regulation of microtubule cytoskeleton organization
B	0070613	biological_process	regulation of protein processing
B	0071333	biological_process	cellular response to glucose stimulus
B	0071374	biological_process	cellular response to parathyroid hormone stimulus
B	0071377	biological_process	cellular response to glucagon stimulus
B	0071872	biological_process	cellular response to epinephrine stimulus
B	0086064	biological_process	cell communication by electrical coupling involved in cardiac conduction
B	0097546	cellular_component	ciliary base
B	0097700	biological_process	vascular endothelial cell response to laminar fluid shear stress
B	0098794	cellular_component	postsynapse
B	0098978	cellular_component	glutamatergic synapse
B	0099103	molecular_function	channel activator activity
B	0099170	biological_process	postsynaptic modulation of chemical synaptic transmission
B	0106310	molecular_function	protein serine kinase activity
B	0120186	biological_process	negative regulation of protein localization to chromatin
B	0140198	molecular_function	histone H1-4S35 kinase activity
B	1903779	biological_process	regulation of cardiac conduction
B	1904262	biological_process	negative regulation of TORC1 signaling
B	1904539	biological_process	negative regulation of glycolytic process through fructose-6-phosphate
B	1990044	biological_process	protein localization to lipid droplet
B	2000810	biological_process	regulation of bicellular tight junction assembly

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue PO4 A 401

Chain	Residue
A	TYR235
A	PRO258
A	HIS260
A	HOH503
A	HOH520
A	HOH656

---

site_id	AC2
Number of Residues	8
Details	binding site for residue PO4 A 402

Chain	Residue
A	GLY282
A	GLY287
A	VAL288
A	HOH562
A	HOH665
A	HIS158
A	LYS217
A	TRP221

---

site_id	AC3
Number of Residues	6
Details	binding site for residue PO4 A 403

Chain	Residue
A	ARG194
A	TRP196
A	LYS213
A	GLY214
A	HOH510
A	HOH636

---

site_id	AC4
Number of Residues	7
Details	binding site for residue PO4 A 404

Chain	Residue
A	LYS72
A	THR183
A	ASP184
A	HOH568
A	HOH612
A	HOH662
G	6J91

---

site_id	AC5
Number of Residues	8
Details	binding site for residue PO4 A 405

Chain	Residue
A	PHE54
A	LYS72
A	HIS87
A	GLU91
A	GLY186
A	HOH568
G	ZEU2
G	DAR3

---

site_id	AC6
Number of Residues	4
Details	binding site for residue PO4 A 406

Chain	Residue
A	PRO141
A	ARG144
A	THR299
A	HOH673

---

site_id	AC7
Number of Residues	5
Details	binding site for residue PO4 A 407

Chain	Residue
A	LYS266
A	ARG270
A	ARG336
A	HOH554
A	HOH620

---

site_id	AC8
Number of Residues	3
Details	binding site for residue PO4 A 408

Chain	Residue
A	GLN77
A	LYS342
A	HOH641

---

site_id	AC9
Number of Residues	1
Details	binding site for residue PO4 A 409

Chain	Residue
A	LYS189

---

site_id	AD1
Number of Residues	4
Details	binding site for residue PO4 A 410

Chain	Residue
A	PRO101
A	ARG308
A	HOH515
A	HOH678

---

site_id	AD2
Number of Residues	2
Details	binding site for residue PO4 A 411

Chain	Residue
A	LYS309
A	HOH658

---

site_id	AD3
Number of Residues	2
Details	binding site for residue PO4 A 412

Chain	Residue
A	HIS142
A	HOH657

---

site_id	AD4
Number of Residues	5
Details	binding site for residue PO4 A 413

Chain	Residue
A	SER139
A	GLU140
A	PRO141
A	HOH504
A	HOH512

---

site_id	AD5
Number of Residues	6
Details	binding site for residue 6J9 A 414

Chain	Residue
A	VAL15
A	PHE18
A	LEU152
A	GLU155
A	LYS292
A	TYR306

---

site_id	AD6
Number of Residues	9
Details	binding site for residue PO4 B 401

Chain	Residue
B	HIS158
B	LYS217
B	TRP221
B	GLY282
B	GLY287
B	VAL288
B	HOH539
B	HOH660
B	HOH750

---

site_id	AD7
Number of Residues	6
Details	binding site for residue PO4 B 402

Chain	Residue
A	LYS249
A	HOH617
B	TYR235
B	HOH505
B	HOH566
B	HOH654

---

site_id	AD8
Number of Residues	10
Details	binding site for residue PO4 B 403

Chain	Residue
B	LYS72
B	THR183
B	ASP184
B	HOH534
B	HOH596
B	HOH659
B	HOH748
F	6J91
F	ZEU2
F	DAR5

---

site_id	AD9
Number of Residues	4
Details	binding site for residue PO4 B 404

Chain	Residue
B	ARG194
B	TRP196
B	GLY214
B	HOH706

---

site_id	AE1
Number of Residues	2
Details	binding site for residue PO4 B 405

Chain	Residue
B	LYS189
B	HOH666

---

site_id	AE2
Number of Residues	8
Details	binding site for residue PO4 B 406

Chain	Residue
B	LYS168
B	ASP184
B	HOH617
B	HOH623
B	HOH730
F	DAR3
F	DAR5
B	ASP166

---

site_id	AE3
Number of Residues	2
Details	binding site for residue PO4 B 407

Chain	Residue
B	ARG133
B	ARG134

---

site_id	AE4
Number of Residues	5
Details	binding site for residue PO4 B 408

Chain	Residue
B	PRO141
B	ARG144
B	THR299
B	HOH675
B	HOH756

---

site_id	AE5
Number of Residues	2
Details	binding site for residue PO4 B 409

Chain	Residue
B	HIS142
B	HOH762

---

site_id	AE6
Number of Residues	6
Details	binding site for residue PO4 B 410

Chain	Residue
B	ASP41
B	ARG45
B	GLU332
B	HOH681
B	HOH725
B	HOH731

---

site_id	AE7
Number of Residues	2
Details	binding site for residue PO4 B 411

Chain	Residue
B	GLY193
B	ARG194

---

site_id	AE8
Number of Residues	3
Details	binding site for residue PO4 B 412

Chain	Residue
A	LYS28
B	TRP30
B	ARG190

---

site_id	AE9
Number of Residues	4
Details	binding site for residue 6J9 B 413

Chain	Residue
B	PHE18
B	LEU152
B	ILE303
B	TYR306

---

site_id	AF1
Number of Residues	12
Details	binding site for residue PO4 F 101

Chain	Residue
B	PHE54
B	LYS72
B	HIS87
B	GLU91
B	GLY186
B	HOH511
B	HOH534
F	ZEU2
F	DAR3
F	DAR5
F	HOH203
F	HOH206

---

site_id	AF2
Number of Residues	19
Details	binding site for residues 6J9 F 1 and ZEU F 2

Chain	Residue
B	GLY50
B	GLY52
B	SER53
B	PHE54
B	GLY55
B	ALA70
B	LEU74
B	GLU121
B	TYR122
B	VAL123
B	LEU173
B	THR183
B	PO4403
B	HOH571
F	DAR3
F	DAR5
F	PO4101
F	HOH204
F	HOH205

---

site_id	AF3
Number of Residues	18
Details	binding site for Di-peptide ZEU F 2 and DAR F 3

Chain	Residue
B	GLY50
B	GLY52
B	SER53
B	PHE54
B	GLY55
B	LEU74
B	ASP184
B	GLY186
B	PHE187
B	PO4403
B	PO4406
F	6J91
F	DAR4
F	DAR5
F	PO4101
F	HOH202
F	HOH205
F	HOH206

---

site_id	AF4
Number of Residues	11
Details	binding site for Di-peptide DAR F 3 and DAR F 4

Chain	Residue
B	SER53
B	PHE54
B	ASP184
B	GLY186
B	PHE187
B	PO4406
F	ZEU2
F	DAR5
F	PO4101
F	HOH202
F	HOH206

---

site_id	AF5
Number of Residues	10
Details	binding site for Di-peptide DAR F 4 and DAR F 5

Chain	Residue
B	SER53
B	ASP184
B	PO4403
B	PO4406
B	HOH659
F	ZEU2
F	DAR3
F	NH26
F	PO4101
F	HOH201

---

site_id	AF6
Number of Residues	9
Details	binding site for Di-peptide DAR F 5 and NH2 F 6

Chain	Residue
B	ASP184
B	PO4403
B	PO4406
B	HOH659
F	ZEU2
F	DAR3
F	DAR4
F	PO4101
F	HOH201

---

site_id	AF7
Number of Residues	17
Details	binding site for residues 6J9 G 1 and ZEU G 2

Chain	Residue
A	LEU49
A	GLY50
A	THR51
A	GLY52
A	SER53
A	PHE54
A	GLY55
A	ALA70
A	GLU121
A	VAL123
A	LEU173
A	THR183
A	PHE327
A	PO4404
A	PO4405
A	HOH534
G	DAR3

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	24
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGTGSFGRVMlVkhketgnh..........YAMK

Chain	Residue	Details
A	LEU49-LYS72

---

site_id	PS00108
Number of Residues	13
Details	PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. LiYrDLKpeNLLI

Chain	Residue	Details
A	LEU162-ILE174

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	16
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P05132","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"12372837","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Modified 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."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"UniProtKB","id":"P05132","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	Modified 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"}]}

Chain

Residue

Details

---