5ISO

STRUCTURE OF FULL LENGTH HUMAN AMPK (NON-PHOSPHORYLATED AT T-LOOP) IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR, A BENZIMIDAZOLE DERIVATIVE (991)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003682	molecular_function	chromatin binding
A	0004672	molecular_function	protein kinase activity
A	0004674	molecular_function	protein serine/threonine kinase activity
A	0004679	molecular_function	AMP-activated 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	0005794	cellular_component	Golgi apparatus
A	0005829	cellular_component	cytosol
A	0006325	biological_process	chromatin organization
A	0006338	biological_process	chromatin remodeling
A	0006468	biological_process	protein phosphorylation
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006633	biological_process	fatty acid biosynthetic process
A	0006694	biological_process	steroid biosynthetic process
A	0006695	biological_process	cholesterol biosynthetic process
A	0006914	biological_process	autophagy
A	0007165	biological_process	signal transduction
A	0008202	biological_process	steroid metabolic process
A	0008203	biological_process	cholesterol metabolic process
A	0008610	biological_process	lipid biosynthetic process
A	0010468	biological_process	regulation of gene expression
A	0010494	cellular_component	cytoplasmic stress granule
A	0010508	biological_process	positive regulation of autophagy
A	0010629	biological_process	negative regulation of gene expression
A	0014850	biological_process	response to muscle activity
A	0016055	biological_process	Wnt signaling pathway
A	0016126	biological_process	sterol biosynthetic process
A	0016239	biological_process	positive regulation of macroautophagy
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	0030424	cellular_component	axon
A	0030425	cellular_component	dendrite
A	0031588	cellular_component	nucleotide-activated protein kinase complex
A	0031669	biological_process	cellular response to nutrient levels
A	0032007	biological_process	negative regulation of TOR signaling
A	0034599	biological_process	cellular response to oxidative stress
A	0036064	cellular_component	ciliary basal body
A	0042149	biological_process	cellular response to glucose starvation
A	0042593	biological_process	glucose homeostasis
A	0042752	biological_process	regulation of circadian rhythm
A	0043025	cellular_component	neuronal cell body
A	0043066	biological_process	negative regulation of apoptotic process
A	0045821	biological_process	positive regulation of glycolytic process
A	0046872	molecular_function	metal ion binding
A	0047322	molecular_function	[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase activity
A	0048511	biological_process	rhythmic process
A	0055089	biological_process	fatty acid homeostasis
A	0062028	biological_process	regulation of stress granule assembly
A	0070507	biological_process	regulation of microtubule cytoskeleton organization
A	0071277	biological_process	cellular response to calcium ion
A	0071333	biological_process	cellular response to glucose stimulus
A	0071380	biological_process	cellular response to prostaglandin E stimulus
A	0071466	biological_process	cellular response to xenobiotic stimulus
A	0097009	biological_process	energy homeostasis
A	0106310	molecular_function	protein serine kinase activity
A	0140823	molecular_function	histone H2BS36 kinase activity
A	1903829	biological_process	positive regulation of protein localization
A	1903944	biological_process	negative regulation of hepatocyte apoptotic process
A	1904262	biological_process	negative regulation of TORC1 signaling
A	1904428	biological_process	negative regulation of tubulin deacetylation
A	1905691	biological_process	lipid droplet disassembly
A	1990044	biological_process	protein localization to lipid droplet
B	0005515	molecular_function	protein binding
B	0005634	cellular_component	nucleus
B	0005654	cellular_component	nucleoplasm
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006633	biological_process	fatty acid biosynthetic process
B	0007165	biological_process	signal transduction
B	0019901	molecular_function	protein kinase binding
B	0031588	cellular_component	nucleotide-activated protein kinase complex
B	0031669	biological_process	cellular response to nutrient levels
B	0032991	cellular_component	protein-containing complex
B	0035878	biological_process	nail development
B	0120162	biological_process	positive regulation of cold-induced thermogenesis
C	0000166	molecular_function	nucleotide binding
C	0003682	molecular_function	chromatin binding
C	0004672	molecular_function	protein kinase activity
C	0004674	molecular_function	protein serine/threonine kinase activity
C	0004679	molecular_function	AMP-activated protein kinase activity
C	0004712	molecular_function	protein serine/threonine/tyrosine kinase activity
C	0005515	molecular_function	protein binding
C	0005524	molecular_function	ATP binding
C	0005634	cellular_component	nucleus
C	0005654	cellular_component	nucleoplasm
C	0005737	cellular_component	cytoplasm
C	0005794	cellular_component	Golgi apparatus
C	0005829	cellular_component	cytosol
C	0006325	biological_process	chromatin organization
C	0006338	biological_process	chromatin remodeling
C	0006468	biological_process	protein phosphorylation
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006633	biological_process	fatty acid biosynthetic process
C	0006694	biological_process	steroid biosynthetic process
C	0006695	biological_process	cholesterol biosynthetic process
C	0006914	biological_process	autophagy
C	0007165	biological_process	signal transduction
C	0008202	biological_process	steroid metabolic process
C	0008203	biological_process	cholesterol metabolic process
C	0008610	biological_process	lipid biosynthetic process
C	0010468	biological_process	regulation of gene expression
C	0010494	cellular_component	cytoplasmic stress granule
C	0010508	biological_process	positive regulation of autophagy
C	0010629	biological_process	negative regulation of gene expression
C	0014850	biological_process	response to muscle activity
C	0016055	biological_process	Wnt signaling pathway
C	0016126	biological_process	sterol biosynthetic process
C	0016239	biological_process	positive regulation of macroautophagy
C	0016241	biological_process	regulation of macroautophagy
C	0016301	molecular_function	kinase activity
C	0016607	cellular_component	nuclear speck
C	0016740	molecular_function	transferase activity
C	0030424	cellular_component	axon
C	0030425	cellular_component	dendrite
C	0031588	cellular_component	nucleotide-activated protein kinase complex
C	0031669	biological_process	cellular response to nutrient levels
C	0032007	biological_process	negative regulation of TOR signaling
C	0034599	biological_process	cellular response to oxidative stress
C	0036064	cellular_component	ciliary basal body
C	0042149	biological_process	cellular response to glucose starvation
C	0042593	biological_process	glucose homeostasis
C	0042752	biological_process	regulation of circadian rhythm
C	0043025	cellular_component	neuronal cell body
C	0043066	biological_process	negative regulation of apoptotic process
C	0045821	biological_process	positive regulation of glycolytic process
C	0046872	molecular_function	metal ion binding
C	0047322	molecular_function	[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase activity
C	0048511	biological_process	rhythmic process
C	0055089	biological_process	fatty acid homeostasis
C	0062028	biological_process	regulation of stress granule assembly
C	0070507	biological_process	regulation of microtubule cytoskeleton organization
C	0071277	biological_process	cellular response to calcium ion
C	0071333	biological_process	cellular response to glucose stimulus
C	0071380	biological_process	cellular response to prostaglandin E stimulus
C	0071466	biological_process	cellular response to xenobiotic stimulus
C	0097009	biological_process	energy homeostasis
C	0106310	molecular_function	protein serine kinase activity
C	0140823	molecular_function	histone H2BS36 kinase activity
C	1903829	biological_process	positive regulation of protein localization
C	1903944	biological_process	negative regulation of hepatocyte apoptotic process
C	1904262	biological_process	negative regulation of TORC1 signaling
C	1904428	biological_process	negative regulation of tubulin deacetylation
C	1905691	biological_process	lipid droplet disassembly
C	1990044	biological_process	protein localization to lipid droplet
D	0005515	molecular_function	protein binding
D	0005634	cellular_component	nucleus
D	0005654	cellular_component	nucleoplasm
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006629	biological_process	lipid metabolic process
D	0006631	biological_process	fatty acid metabolic process
D	0006633	biological_process	fatty acid biosynthetic process
D	0007165	biological_process	signal transduction
D	0019901	molecular_function	protein kinase binding
D	0031588	cellular_component	nucleotide-activated protein kinase complex
D	0031669	biological_process	cellular response to nutrient levels
D	0032991	cellular_component	protein-containing complex
D	0035878	biological_process	nail development
D	0120162	biological_process	positive regulation of cold-induced thermogenesis
E	0000166	molecular_function	nucleotide binding
E	0004679	molecular_function	AMP-activated protein kinase activity
E	0004691	molecular_function	cAMP-dependent protein kinase activity
E	0005515	molecular_function	protein binding
E	0005524	molecular_function	ATP binding
E	0005634	cellular_component	nucleus
E	0005654	cellular_component	nucleoplasm
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0006110	biological_process	regulation of glycolytic process
E	0006468	biological_process	protein phosphorylation
E	0006629	biological_process	lipid metabolic process
E	0006631	biological_process	fatty acid metabolic process
E	0006633	biological_process	fatty acid biosynthetic process
E	0007165	biological_process	signal transduction
E	0007283	biological_process	spermatogenesis
E	0008603	molecular_function	cAMP-dependent protein kinase regulator activity
E	0016020	cellular_component	membrane
E	0016208	molecular_function	AMP binding
E	0019887	molecular_function	protein kinase regulator activity
E	0019901	molecular_function	protein kinase binding
E	0031588	cellular_component	nucleotide-activated protein kinase complex
E	0031669	biological_process	cellular response to nutrient levels
E	0032991	cellular_component	protein-containing complex
E	0042149	biological_process	cellular response to glucose starvation
E	0043531	molecular_function	ADP binding
E	0043609	biological_process	regulation of carbon utilization
E	0044877	molecular_function	protein-containing complex binding
E	0045722	biological_process	positive regulation of gluconeogenesis
E	0051170	biological_process	import into nucleus
E	0051726	biological_process	regulation of cell cycle
F	0000166	molecular_function	nucleotide binding
F	0004679	molecular_function	AMP-activated protein kinase activity
F	0004691	molecular_function	cAMP-dependent protein kinase activity
F	0005515	molecular_function	protein binding
F	0005524	molecular_function	ATP binding
F	0005634	cellular_component	nucleus
F	0005654	cellular_component	nucleoplasm
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0006110	biological_process	regulation of glycolytic process
F	0006468	biological_process	protein phosphorylation
F	0006629	biological_process	lipid metabolic process
F	0006631	biological_process	fatty acid metabolic process
F	0006633	biological_process	fatty acid biosynthetic process
F	0007165	biological_process	signal transduction
F	0007283	biological_process	spermatogenesis
F	0008603	molecular_function	cAMP-dependent protein kinase regulator activity
F	0016020	cellular_component	membrane
F	0016208	molecular_function	AMP binding
F	0019887	molecular_function	protein kinase regulator activity
F	0019901	molecular_function	protein kinase binding
F	0031588	cellular_component	nucleotide-activated protein kinase complex
F	0031669	biological_process	cellular response to nutrient levels
F	0032991	cellular_component	protein-containing complex
F	0042149	biological_process	cellular response to glucose starvation
F	0043531	molecular_function	ADP binding
F	0043609	biological_process	regulation of carbon utilization
F	0044877	molecular_function	protein-containing complex binding
F	0045722	biological_process	positive regulation of gluconeogenesis
F	0051170	biological_process	import into nucleus
F	0051726	biological_process	regulation of cell cycle

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	binding site for residue STU A 601

Chain	Residue
A	LEU22
A	GLU100
A	GLU143
A	ASN144
A	LEU146
A	ALA156
A	ASP157
A	GLY23
A	VAL24
A	GLY25
A	VAL30
A	ALA43
A	GLU94
A	TYR95
A	VAL96

---

site_id	AC2
Number of Residues	12
Details	binding site for residue 992 A 602

Chain	Residue
A	LEU18
A	LYS29
A	LYS31
A	ILE46
A	ASN48
A	LYS51
A	ASP88
B	ARG83
B	ARG107
B	SEP108
B	ASN111
B	VAL113

---

site_id	AC3
Number of Residues	9
Details	binding site for residue AMP E 401

Chain	Residue
E	THR87
E	THR89
E	ASP90
E	PRO128
E	VAL130
E	ILE150
E	HIS151
E	ARG152
E	PRO154

---

site_id	AC4
Number of Residues	13
Details	binding site for residue AMP E 402

Chain	Residue
A	PRO367
E	ARG70
E	LYS170
E	ILE240
E	SER242
E	ASP245
E	ARG269
E	GLY275
E	VAL276
E	LEU277
E	VAL297
E	HIS298
E	ARG299

---

site_id	AC5
Number of Residues	12
Details	binding site for residue AMP E 403

Chain	Residue
E	HIS151
E	THR200
E	ASN203
E	ILE204
E	ALA205
E	VAL225
E	SER226
E	ALA227
E	HIS298
E	SER314
E	SER316
E	ASP317

---

site_id	AC6
Number of Residues	15
Details	binding site for residue STU C 601

Chain	Residue
C	LEU22
C	GLY23
C	VAL24
C	GLY25
C	VAL30
C	ALA43
C	GLU94
C	TYR95
C	VAL96
C	GLU100
C	GLU143
C	ASN144
C	LEU146
C	ALA156
C	ASP157

---

site_id	AC7
Number of Residues	13
Details	binding site for residue 992 C 602

Chain	Residue
C	LEU18
C	LYS29
C	LYS31
C	ILE46
C	ASN48
C	LYS51
C	ASP88
D	ARG83
D	THR106
D	ARG107
D	SEP108
D	ASN111
D	VAL113

---

site_id	AC8
Number of Residues	11
Details	binding site for residue AMP F 401

Chain	Residue
F	PRO154
F	MET85
F	THR87
F	THR89
F	ASP90
F	PRO128
F	LEU129
F	VAL130
F	ILE150
F	HIS151
F	ARG152

---

site_id	AC9
Number of Residues	12
Details	binding site for residue AMP F 402

Chain	Residue
F	ARG70
F	LYS170
F	ILE240
F	SER242
F	ASP245
F	ARG269
F	GLY275
F	VAL276
F	LEU277
F	VAL297
F	HIS298
F	ARG299

---

site_id	AD1
Number of Residues	12
Details	binding site for residue AMP F 403

Chain	Residue
F	HIS151
F	THR200
F	ASN203
F	ILE204
F	ALA205
F	VAL225
F	SER226
F	ALA227
F	HIS298
F	SER314
F	SER316
F	ASP317

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	LEU22-LYS45

---

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

Chain	Residue	Details
A	VAL135-LEU147

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	504
Details	Domain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
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_FI3
Number of Residues	18
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; by LKB1 and CaMKK2","evidences":[{"source":"PubMed","id":"15980064","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24767988","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28552616","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"Q09137","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P80386","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18088087","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"21406692","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI11
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q9R078","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI12
Number of Residues	120
Details	Domain: {"description":"CBS 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00703","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI13
Number of Residues	124
Details	Domain: {"description":"CBS 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00703","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI14
Number of Residues	124
Details	Domain: {"description":"CBS 3","evidences":[{"source":"PROSITE-ProRule","id":"PRU00703","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI15
Number of Residues	42
Details	Motif: {"description":"AMPK pseudosubstrate"}

Chain

Residue

Details

---

site_id	SWS_FT_FI16
Number of Residues	32
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P80385","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI17
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17452784","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24352254","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25412657","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4CFF","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI18
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine; by ULK1","evidences":[{"source":"UniProtKB","id":"P80385","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI19
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine; by ULK1","evidences":[{"source":"UniProtKB","id":"P80385","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---