3NCA

X-ray structure of ketohexokinase in complex with a thieno pyridinol compound

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004454	molecular_function	ketohexokinase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006000	biological_process	fructose metabolic process
A	0006796	biological_process	phosphate-containing compound metabolic process
A	0009744	biological_process	response to sucrose
A	0009749	biological_process	response to glucose
A	0009750	biological_process	response to fructose
A	0010043	biological_process	response to zinc ion
A	0016301	molecular_function	kinase activity
A	0032868	biological_process	response to insulin
A	0046835	biological_process	carbohydrate phosphorylation
A	0070062	cellular_component	extracellular exosome
A	0070873	biological_process	regulation of glycogen metabolic process
B	0004454	molecular_function	ketohexokinase activity
B	0005515	molecular_function	protein binding
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006000	biological_process	fructose metabolic process
B	0006796	biological_process	phosphate-containing compound metabolic process
B	0009744	biological_process	response to sucrose
B	0009749	biological_process	response to glucose
B	0009750	biological_process	response to fructose
B	0010043	biological_process	response to zinc ion
B	0016301	molecular_function	kinase activity
B	0032868	biological_process	response to insulin
B	0046835	biological_process	carbohydrate phosphorylation
B	0070062	cellular_component	extracellular exosome
B	0070873	biological_process	regulation of glycogen metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 299

Chain	Residue
A	ARG108
A	THR253
A	GLY255
A	ALA256
A	GLY257
A	ASP258
A	HOH313

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site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE TR2 A 300

Chain	Residue
A	ALA256
A	CYS289

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site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 299

Chain	Residue
B	ARG78
B	ARG79
B	GLY293
B	PHE294
B	ASP295

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 300

Chain	Residue
A	ARG31
B	HIS113
B	ARG141
B	LYS174
B	HOH350

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:19237742, ECO:0007744|PDB:2HW1

Chain	Residue	Details
A	ASP15
B	ASP15

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site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0007744|PDB:2HW1

Chain	Residue	Details
A	GLY41
A	ASN42
A	ASN45
A	ASP258
B	GLY41
B	ASN42
B	ASN45
B	ASP258

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING: BINDING => ECO:0000305|PubMed:19237742, ECO:0007744|PDB:2HW1

Chain	Residue	Details
A	ARG108
A	ALA226
A	GLY255
B	ARG108
B	ALA226
B	GLY255

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