7T79

CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0001678	biological_process	intracellular glucose homeostasis
A	0003824	molecular_function	catalytic activity
A	0004340	molecular_function	glucokinase activity
A	0004396	molecular_function	hexokinase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005536	molecular_function	D-glucose binding
A	0005634	cellular_component	nucleus
A	0005654	cellular_component	nucleoplasm
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005829	cellular_component	cytosol
A	0005975	biological_process	carbohydrate metabolic process
A	0006006	biological_process	glucose metabolic process
A	0006007	biological_process	glucose catabolic process
A	0006096	biological_process	glycolytic process
A	0006110	biological_process	regulation of glycolytic process
A	0006163	biological_process	purine nucleotide metabolic process
A	0008865	molecular_function	fructokinase activity
A	0009749	biological_process	response to glucose
A	0016301	molecular_function	kinase activity
A	0016740	molecular_function	transferase activity
A	0016773	molecular_function	phosphotransferase activity, alcohol group as acceptor
A	0019158	molecular_function	mannokinase activity
A	0019318	biological_process	hexose metabolic process
A	0032024	biological_process	positive regulation of insulin secretion
A	0032869	biological_process	cellular response to insulin stimulus
A	0042593	biological_process	glucose homeostasis
A	0044320	biological_process	cellular response to leptin stimulus
A	0045721	biological_process	negative regulation of gluconeogenesis
A	0045725	biological_process	positive regulation of glycogen biosynthetic process
A	0046496	biological_process	nicotinamide nucleotide metabolic process
A	0046835	biological_process	carbohydrate phosphorylation
A	0050796	biological_process	regulation of insulin secretion
A	0051156	biological_process	glucose 6-phosphate metabolic process
A	0061621	biological_process	canonical glycolysis
A	0070509	biological_process	calcium ion import
A	0141089	molecular_function	glucose sensor activity
B	0000166	molecular_function	nucleotide binding
B	0001678	biological_process	intracellular glucose homeostasis
B	0003824	molecular_function	catalytic activity
B	0004340	molecular_function	glucokinase activity
B	0004396	molecular_function	hexokinase activity
B	0005515	molecular_function	protein binding
B	0005524	molecular_function	ATP binding
B	0005536	molecular_function	D-glucose binding
B	0005634	cellular_component	nucleus
B	0005654	cellular_component	nucleoplasm
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005829	cellular_component	cytosol
B	0005975	biological_process	carbohydrate metabolic process
B	0006006	biological_process	glucose metabolic process
B	0006007	biological_process	glucose catabolic process
B	0006096	biological_process	glycolytic process
B	0006110	biological_process	regulation of glycolytic process
B	0006163	biological_process	purine nucleotide metabolic process
B	0008865	molecular_function	fructokinase activity
B	0009749	biological_process	response to glucose
B	0016301	molecular_function	kinase activity
B	0016740	molecular_function	transferase activity
B	0016773	molecular_function	phosphotransferase activity, alcohol group as acceptor
B	0019158	molecular_function	mannokinase activity
B	0019318	biological_process	hexose metabolic process
B	0032024	biological_process	positive regulation of insulin secretion
B	0032869	biological_process	cellular response to insulin stimulus
B	0042593	biological_process	glucose homeostasis
B	0044320	biological_process	cellular response to leptin stimulus
B	0045721	biological_process	negative regulation of gluconeogenesis
B	0045725	biological_process	positive regulation of glycogen biosynthetic process
B	0046496	biological_process	nicotinamide nucleotide metabolic process
B	0046835	biological_process	carbohydrate phosphorylation
B	0050796	biological_process	regulation of insulin secretion
B	0051156	biological_process	glucose 6-phosphate metabolic process
B	0061621	biological_process	canonical glycolysis
B	0070509	biological_process	calcium ion import
B	0141089	molecular_function	glucose sensor activity

Functional Information from PROSITE/UniProt

site_id	PS00378
Number of Residues	26
Details	HEXOKINASE_1 Hexokinase domain signature. LGFTFSFPvrhedIDkgiLlnWTKgF

Chain	Residue	Details
A	LEU146-PHE171

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	478
Details	Region: {"description":"Hexokinase large subdomain","evidences":[{"source":"PROSITE-ProRule","id":"PRU01084","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15016359","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22101819","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3FGU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ID8","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI4
Number of Residues	5
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P19367","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	2
Details	M-CSA 592

Chain	Residue	Details
A	LYS169	proton acceptor, proton donor
A	ASP205	metal ligand, proton acceptor, proton donor

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site_id	MCSA2
Number of Residues	2
Details	M-CSA 592

Chain	Residue	Details
B	LYS169	proton acceptor, proton donor
B	ASP205	metal ligand, proton acceptor, proton donor

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