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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
ChainGOidnamespacecontents
A0001678biological_processintracellular glucose homeostasis
A0004340molecular_functionglucokinase activity
A0004396molecular_functionhexokinase activity
A0005515molecular_functionprotein binding
A0005524molecular_functionATP binding
A0005536molecular_functionD-glucose binding
A0005634cellular_componentnucleus
A0005654cellular_componentnucleoplasm
A0005737cellular_componentcytoplasm
A0005739cellular_componentmitochondrion
A0005829cellular_componentcytosol
A0005975biological_processcarbohydrate metabolic process
A0006006biological_processglucose metabolic process
A0006007biological_processglucose catabolic process
A0006096biological_processglycolytic process
A0006110biological_processregulation of glycolytic process
A0006739biological_processNADP metabolic process
A0008865molecular_functionfructokinase activity
A0009749biological_processresponse to glucose
A0016301molecular_functionkinase activity
A0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
A0019158molecular_functionmannokinase activity
A0019318biological_processhexose metabolic process
A0032024biological_processpositive regulation of insulin secretion
A0032869biological_processcellular response to insulin stimulus
A0042593biological_processglucose homeostasis
A0043266biological_processregulation of potassium ion transport
A0044320biological_processcellular response to leptin stimulus
A0045721biological_processnegative regulation of gluconeogenesis
A0045725biological_processpositive regulation of glycogen biosynthetic process
A0046835biological_processcarbohydrate phosphorylation
A0050796biological_processregulation of insulin secretion
A0051156biological_processglucose 6-phosphate metabolic process
A0061621biological_processcanonical glycolysis
A0070509biological_processcalcium ion import
A0141089molecular_functionglucose sensor activity
A1901135biological_processcarbohydrate derivative metabolic process
B0001678biological_processintracellular glucose homeostasis
B0004340molecular_functionglucokinase activity
B0004396molecular_functionhexokinase activity
B0005515molecular_functionprotein binding
B0005524molecular_functionATP binding
B0005536molecular_functionD-glucose binding
B0005634cellular_componentnucleus
B0005654cellular_componentnucleoplasm
B0005737cellular_componentcytoplasm
B0005739cellular_componentmitochondrion
B0005829cellular_componentcytosol
B0005975biological_processcarbohydrate metabolic process
B0006006biological_processglucose metabolic process
B0006007biological_processglucose catabolic process
B0006096biological_processglycolytic process
B0006110biological_processregulation of glycolytic process
B0006739biological_processNADP metabolic process
B0008865molecular_functionfructokinase activity
B0009749biological_processresponse to glucose
B0016301molecular_functionkinase activity
B0016773molecular_functionphosphotransferase activity, alcohol group as acceptor
B0019158molecular_functionmannokinase activity
B0019318biological_processhexose metabolic process
B0032024biological_processpositive regulation of insulin secretion
B0032869biological_processcellular response to insulin stimulus
B0042593biological_processglucose homeostasis
B0043266biological_processregulation of potassium ion transport
B0044320biological_processcellular response to leptin stimulus
B0045721biological_processnegative regulation of gluconeogenesis
B0045725biological_processpositive regulation of glycogen biosynthetic process
B0046835biological_processcarbohydrate phosphorylation
B0050796biological_processregulation of insulin secretion
B0051156biological_processglucose 6-phosphate metabolic process
B0061621biological_processcanonical glycolysis
B0070509biological_processcalcium ion import
B0141089molecular_functionglucose sensor activity
B1901135biological_processcarbohydrate derivative metabolic process
Functional Information from PROSITE/UniProt
site_idPS00378
Number of Residues26
DetailsHEXOKINASE_1 Hexokinase domain signature. LGFTFSFPvrhedIDkgiLlnWTKgF
ChainResidueDetails
ALEU146-PHE171

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P19367
ChainResidueDetails
AASP78
BASP78

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:15016359
ChainResidueDetails
ASER151
BASN231
BGLU256
BGLU290
ATHR168
AASN204
AASN231
AGLU256
AGLU290
BSER151
BTHR168
BASN204

site_idSWS_FT_FI3
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:22101819, ECO:0007744|PDB:3FGU, ECO:0007744|PDB:3ID8
ChainResidueDetails
ATHR228
AGLY295
ATHR332
ASER411
BTHR228
BGLY295
BTHR332
BSER411

Catalytic Information from CSA
site_idMCSA1
Number of Residues2
DetailsM-CSA 592
ChainResidueDetails
ALYS169proton acceptor, proton donor
AASP205metal ligand, proton acceptor, proton donor

site_idMCSA2
Number of Residues2
DetailsM-CSA 592
ChainResidueDetails
BLYS169proton acceptor, proton donor
BASP205metal ligand, proton acceptor, proton donor

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PDB entries from 2024-07-17

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