3Q92

X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 1

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	0042802	molecular_function	identical protein binding
A	0042803	molecular_function	protein homodimerization activity
A	0046835	biological_process	carbohydrate phosphorylation
A	0070061	molecular_function	fructose binding
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	0042802	molecular_function	identical protein binding
B	0042803	molecular_function	protein homodimerization activity
B	0046835	biological_process	carbohydrate phosphorylation
B	0070061	molecular_function	fructose binding
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	12
Details	BINDING SITE FOR RESIDUE XNB A 301

Chain	Residue
A	ASN107
A	PHE260
A	CYS282
B	ASP27
A	ALA224
A	ALA226
A	GLU227
A	GLY229
A	PRO246
A	VAL250
A	ALA256
A	GLY257

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 302

Chain	Residue
A	ARG108
A	THR253
A	GLY255
A	ALA256
A	GLY257
A	ASP258
B	GLU29

---

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE XNB B 301

Chain	Residue
B	ALA224
B	ALA226
B	GLU227
B	GLY229
B	ALA244
B	PHE245
B	PRO246
B	PRO247
B	VAL250
B	ALA256
B	GLY257
B	PHE260
B	CYS282
B	ALA285
B	CYS289
B	HOH401

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 302

Chain	Residue
B	ARG78
B	ARG79
B	PHE294

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 303

Chain	Residue
A	ARG31
B	HIS113
B	ARG141
B	ARG176
B	HOH424

---

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

---

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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