2Y5K

Orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000122	biological_process	negative regulation of transcription by RNA polymerase II
A	0003824	molecular_function	catalytic activity
A	0005515	molecular_function	protein binding
A	0005615	cellular_component	extracellular space
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0005975	biological_process	carbohydrate metabolic process
A	0006000	biological_process	fructose metabolic process
A	0006002	biological_process	fructose 6-phosphate metabolic process
A	0006094	biological_process	gluconeogenesis
A	0006111	biological_process	regulation of gluconeogenesis
A	0016208	molecular_function	AMP binding
A	0016787	molecular_function	hydrolase activity
A	0016791	molecular_function	phosphatase activity
A	0030308	biological_process	negative regulation of cell growth
A	0030388	biological_process	fructose 1,6-bisphosphate metabolic process
A	0031667	biological_process	response to nutrient levels
A	0032869	biological_process	cellular response to insulin stimulus
A	0042132	molecular_function	fructose 1,6-bisphosphate 1-phosphatase activity
A	0042578	molecular_function	phosphoric ester hydrolase activity
A	0042802	molecular_function	identical protein binding
A	0045820	biological_process	negative regulation of glycolytic process
A	0046580	biological_process	negative regulation of Ras protein signal transduction
A	0046872	molecular_function	metal ion binding
A	0048029	molecular_function	monosaccharide binding
A	0061629	molecular_function	RNA polymerase II-specific DNA-binding transcription factor binding
A	0070062	cellular_component	extracellular exosome
A	0071286	biological_process	cellular response to magnesium ion
A	0071320	biological_process	cellular response to cAMP
A	0071466	biological_process	cellular response to xenobiotic stimulus
A	0071475	biological_process	cellular hyperosmotic salinity response
A	0071477	biological_process	cellular hypotonic salinity response
A	0097403	biological_process	cellular response to raffinose
A	1904628	biological_process	cellular response to phorbol 13-acetate 12-myristate
B	0000122	biological_process	negative regulation of transcription by RNA polymerase II
B	0003824	molecular_function	catalytic activity
B	0005515	molecular_function	protein binding
B	0005615	cellular_component	extracellular space
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0005975	biological_process	carbohydrate metabolic process
B	0006000	biological_process	fructose metabolic process
B	0006002	biological_process	fructose 6-phosphate metabolic process
B	0006094	biological_process	gluconeogenesis
B	0006111	biological_process	regulation of gluconeogenesis
B	0016208	molecular_function	AMP binding
B	0016787	molecular_function	hydrolase activity
B	0016791	molecular_function	phosphatase activity
B	0030308	biological_process	negative regulation of cell growth
B	0030388	biological_process	fructose 1,6-bisphosphate metabolic process
B	0031667	biological_process	response to nutrient levels
B	0032869	biological_process	cellular response to insulin stimulus
B	0042132	molecular_function	fructose 1,6-bisphosphate 1-phosphatase activity
B	0042578	molecular_function	phosphoric ester hydrolase activity
B	0042802	molecular_function	identical protein binding
B	0045820	biological_process	negative regulation of glycolytic process
B	0046580	biological_process	negative regulation of Ras protein signal transduction
B	0046872	molecular_function	metal ion binding
B	0048029	molecular_function	monosaccharide binding
B	0061629	molecular_function	RNA polymerase II-specific DNA-binding transcription factor binding
B	0070062	cellular_component	extracellular exosome
B	0071286	biological_process	cellular response to magnesium ion
B	0071320	biological_process	cellular response to cAMP
B	0071466	biological_process	cellular response to xenobiotic stimulus
B	0071475	biological_process	cellular hyperosmotic salinity response
B	0071477	biological_process	cellular hypotonic salinity response
B	0097403	biological_process	cellular response to raffinose
B	1904628	biological_process	cellular response to phorbol 13-acetate 12-myristate
C	0000122	biological_process	negative regulation of transcription by RNA polymerase II
C	0003824	molecular_function	catalytic activity
C	0005515	molecular_function	protein binding
C	0005615	cellular_component	extracellular space
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0005975	biological_process	carbohydrate metabolic process
C	0006000	biological_process	fructose metabolic process
C	0006002	biological_process	fructose 6-phosphate metabolic process
C	0006094	biological_process	gluconeogenesis
C	0006111	biological_process	regulation of gluconeogenesis
C	0016208	molecular_function	AMP binding
C	0016787	molecular_function	hydrolase activity
C	0016791	molecular_function	phosphatase activity
C	0030308	biological_process	negative regulation of cell growth
C	0030388	biological_process	fructose 1,6-bisphosphate metabolic process
C	0031667	biological_process	response to nutrient levels
C	0032869	biological_process	cellular response to insulin stimulus
C	0042132	molecular_function	fructose 1,6-bisphosphate 1-phosphatase activity
C	0042578	molecular_function	phosphoric ester hydrolase activity
C	0042802	molecular_function	identical protein binding
C	0045820	biological_process	negative regulation of glycolytic process
C	0046580	biological_process	negative regulation of Ras protein signal transduction
C	0046872	molecular_function	metal ion binding
C	0048029	molecular_function	monosaccharide binding
C	0061629	molecular_function	RNA polymerase II-specific DNA-binding transcription factor binding
C	0070062	cellular_component	extracellular exosome
C	0071286	biological_process	cellular response to magnesium ion
C	0071320	biological_process	cellular response to cAMP
C	0071466	biological_process	cellular response to xenobiotic stimulus
C	0071475	biological_process	cellular hyperosmotic salinity response
C	0071477	biological_process	cellular hypotonic salinity response
C	0097403	biological_process	cellular response to raffinose
C	1904628	biological_process	cellular response to phorbol 13-acetate 12-myristate
D	0000122	biological_process	negative regulation of transcription by RNA polymerase II
D	0003824	molecular_function	catalytic activity
D	0005515	molecular_function	protein binding
D	0005615	cellular_component	extracellular space
D	0005634	cellular_component	nucleus
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0005975	biological_process	carbohydrate metabolic process
D	0006000	biological_process	fructose metabolic process
D	0006002	biological_process	fructose 6-phosphate metabolic process
D	0006094	biological_process	gluconeogenesis
D	0006111	biological_process	regulation of gluconeogenesis
D	0016208	molecular_function	AMP binding
D	0016787	molecular_function	hydrolase activity
D	0016791	molecular_function	phosphatase activity
D	0030308	biological_process	negative regulation of cell growth
D	0030388	biological_process	fructose 1,6-bisphosphate metabolic process
D	0031667	biological_process	response to nutrient levels
D	0032869	biological_process	cellular response to insulin stimulus
D	0042132	molecular_function	fructose 1,6-bisphosphate 1-phosphatase activity
D	0042578	molecular_function	phosphoric ester hydrolase activity
D	0042802	molecular_function	identical protein binding
D	0045820	biological_process	negative regulation of glycolytic process
D	0046580	biological_process	negative regulation of Ras protein signal transduction
D	0046872	molecular_function	metal ion binding
D	0048029	molecular_function	monosaccharide binding
D	0061629	molecular_function	RNA polymerase II-specific DNA-binding transcription factor binding
D	0070062	cellular_component	extracellular exosome
D	0071286	biological_process	cellular response to magnesium ion
D	0071320	biological_process	cellular response to cAMP
D	0071466	biological_process	cellular response to xenobiotic stimulus
D	0071475	biological_process	cellular hyperosmotic salinity response
D	0071477	biological_process	cellular hypotonic salinity response
D	0097403	biological_process	cellular response to raffinose
D	1904628	biological_process	cellular response to phorbol 13-acetate 12-myristate

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	BINDING SITE FOR RESIDUE YCU A 1336

Chain	Residue
A	VAL17
A	GLU29
A	LEU30
A	THR31
A	MET177
A	ASP178
A	HOH2101
A	HOH2104
A	HOH2205
C	THR27
C	GLY28
A	MET18
C	THR31
C	YCU1336
A	GLU20
A	GLY21
A	ARG22
A	ALA24
A	GLY26
A	THR27
A	GLY28

---

site_id	AC2
Number of Residues	19
Details	BINDING SITE FOR RESIDUE YCU B 1336

Chain	Residue
B	VAL17
B	MET18
B	GLU20
B	GLY21
B	ARG22
B	GLY26
B	THR27
B	GLY28
B	GLU29
B	LEU30
B	THR31
B	VAL160
B	HOH2128
B	HOH2240
B	HOH2241
B	HOH2242
D	THR27
D	GLY28
D	YCU1336

---

site_id	AC3
Number of Residues	20
Details	BINDING SITE FOR RESIDUE YCU C 1336

Chain	Residue
A	THR27
A	GLY28
A	YCU1336
C	VAL17
C	MET18
C	GLU20
C	GLY21
C	ARG22
C	GLY26
C	THR27
C	GLY28
C	GLU29
C	LEU30
C	THR31
C	VAL160
C	MET177
C	ASP178
C	HOH2145
C	HOH2267
C	HOH2268

---

site_id	AC4
Number of Residues	16
Details	BINDING SITE FOR RESIDUE YCU D 1336

Chain	Residue
B	THR27
B	GLY28
B	YCU1336
D	VAL17
D	MET18
D	GLU20
D	GLY21
D	ARG22
D	GLY26
D	THR27
D	GLY28
D	GLU29
D	LEU30
D	THR31
D	HOH2108
D	HOH2151

---

Functional Information from PROSITE/UniProt

site_id	PS00124
Number of Residues	13
Details	FBPASE Fructose-1-6-bisphosphatase active site. GKLrlLYEcnPMA

Chain	Residue	Details
A	GLY273-ALA285

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	40
Details	Binding site: {"evidences":[{"source":"PubMed","id":"7809062","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1FTA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	64
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P00636","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PDB","id":"2FHY","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q9QXD6","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	8
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"UniProtKB","id":"Q9QXD6","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---