Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1HKB

CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0001678	biological_process	intracellular glucose homeostasis
A	0002376	biological_process	immune system process
A	0002720	biological_process	positive regulation of cytokine production involved in immune response
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	0005739	cellular_component	mitochondrion
A	0005741	cellular_component	mitochondrial outer membrane
A	0005829	cellular_component	cytosol
A	0005975	biological_process	carbohydrate metabolic process
A	0006002	biological_process	fructose 6-phosphate metabolic process
A	0006006	biological_process	glucose metabolic process
A	0006013	biological_process	mannose metabolic process
A	0006096	biological_process	glycolytic process
A	0006954	biological_process	inflammatory response
A	0008865	molecular_function	fructokinase activity
A	0009298	biological_process	GDP-mannose biosynthetic process
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	0019637	biological_process	organophosphate metabolic process
A	0032731	biological_process	positive regulation of interleukin-1 beta production
A	0042834	molecular_function	peptidoglycan binding
A	0045087	biological_process	innate immune response
A	0045121	cellular_component	membrane raft
A	0046835	biological_process	carbohydrate phosphorylation
A	0047931	molecular_function	glucosamine kinase activity
A	0051156	biological_process	glucose 6-phosphate metabolic process
A	0061621	biological_process	canonical glycolysis
A	0072655	biological_process	establishment of protein localization to mitochondrion
A	0072656	biological_process	maintenance of protein location in mitochondrion
A	1901135	biological_process	carbohydrate derivative metabolic process
B	0000166	molecular_function	nucleotide binding
B	0001678	biological_process	intracellular glucose homeostasis
B	0002376	biological_process	immune system process
B	0002720	biological_process	positive regulation of cytokine production involved in immune response
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	0005739	cellular_component	mitochondrion
B	0005741	cellular_component	mitochondrial outer membrane
B	0005829	cellular_component	cytosol
B	0005975	biological_process	carbohydrate metabolic process
B	0006002	biological_process	fructose 6-phosphate metabolic process
B	0006006	biological_process	glucose metabolic process
B	0006013	biological_process	mannose metabolic process
B	0006096	biological_process	glycolytic process
B	0006954	biological_process	inflammatory response
B	0008865	molecular_function	fructokinase activity
B	0009298	biological_process	GDP-mannose biosynthetic process
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	0019637	biological_process	organophosphate metabolic process
B	0032731	biological_process	positive regulation of interleukin-1 beta production
B	0042834	molecular_function	peptidoglycan binding
B	0045087	biological_process	innate immune response
B	0045121	cellular_component	membrane raft
B	0046835	biological_process	carbohydrate phosphorylation
B	0047931	molecular_function	glucosamine kinase activity
B	0051156	biological_process	glucose 6-phosphate metabolic process
B	0061621	biological_process	canonical glycolysis
B	0072655	biological_process	establishment of protein localization to mitochondrion
B	0072656	biological_process	maintenance of protein location in mitochondrion
B	1901135	biological_process	carbohydrate derivative metabolic process

Functional Information from PDB Data

site_id	6CA
Number of Residues	8
Details	GLUCOSE-6-PHOSPHATE BINDING SITE IN C-TERMINAL DOMAIN.

Chain	Residue
A	SER603
A	ASP657
A	SER897
A	ASP532
A	ASP861
A	THR863
A	THR680
A	THR536

site_id	6CB
Number of Residues	8
Details	GLUCOSE-6-PHOSPHATE BINDING SITE IN C-TERMINAL DOMAIN.

Chain	Residue
B	SER603
B	ASP657
B	SER897
B	ASP532
B	ASP861
B	THR863
B	THR680
B	THR536

site_id	6NA
Number of Residues	8
Details	GLUCOSE-6-PHOSPHATE BINDING SITE IN N-TERMINAL DOMAIN.

Chain	Residue
A	SER155
A	ASP209
A	SER449
A	ASP84
A	ASP413
A	SER415
A	ILE230
A	SER88

site_id	6NB
Number of Residues	8
Details	GLUCOSE-6-PHOSPHATE BINDING SITE IN N-TERMINAL DOMAIN.

Chain	Residue
B	SER155
B	ASP209
B	SER449
B	ASP84
B	ASP413
B	SER415
B	ILE230
B	SER88

site_id	GCA
Number of Residues	7
Details	GLUCOSE BINDING SITE IN C-TERMINAL DOMAIN.

Chain	Residue
A	GLU742
A	THR620
A	GLU708
A	ASN656
A	ASP657
A	ASN683
A	LYS621

site_id	GCB
Number of Residues	7
Details	GLUCOSE BINDING SITE IN C-TERMINAL DOMAIN.

Chain	Residue
B	GLU742
B	THR620
B	GLU708
B	ASN656
B	ASP657
B	ASN683
B	LYS621

site_id	GNA
Number of Residues	7
Details	GLUCOSE BINDING SITE IN N-TERMINAL DOMAIN.

Chain	Residue
A	GLU294
A	THR172
A	GLU260
A	ASN208
A	ASP209
A	ASN235
A	LYS173

site_id	GNB
Number of Residues	7
Details	GLUCOSE BINDING SITE IN N-TERMINAL DOMAIN.

Chain	Residue
B	GLU260
B	ASN208
B	ASP209
B	ASN235
B	LYS173
B	GLU294
B	THR172

site_id	MCA
Number of Residues	4
Details	METAL ION BINDING SITE IN C-TERMINAL DOMAIN.

Chain	Residue
A	MET690
A	VAL693
A	VAL696
A	GLY698

site_id	MCB
Number of Residues	4
Details	METAL ION BINDING SITE IN C-TERMINAL DOMAIN.

Chain	Residue
B	MET690
B	VAL693
B	VAL696
B	GLY698

site_id	MNA
Number of Residues	4
Details	METAL ION BINDING SITE IN N-TERMINAL DOMAIN.

Chain	Residue
A	LEU242
A	ILE245
A	VAL248
A	GLY250

site_id	MNB
Number of Residues	4
Details	METAL ION BINDING SITE IN N-TERMINAL DOMAIN.

Chain	Residue
B	LEU242
B	ILE245
B	VAL248
B	GLY250

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL150-PHE175
A	LEU598-PHE623

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	884
Details	Domain: {"description":"Hexokinase 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU01084","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	884
Details	Domain: {"description":"Hexokinase 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU01084","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	268
Details	Region: {"description":"Hexokinase small subdomain 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU01084","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	478
Details	Region: {"description":"Hexokinase large subdomain 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU01084","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	268
Details	Region: {"description":"Hexokinase small subdomain 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU01084","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	478
Details	Region: {"description":"Hexokinase large subdomain 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU01084","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10574795","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10686099","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CZA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DGK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QHA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10574795","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10686099","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9493266","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CZA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HKB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QHA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10686099","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9735292","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DGK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HKC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10686099","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9493266","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9735292","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DGK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HKB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HKC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4F9O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	14
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10574795","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10686099","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9493266","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9735292","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CZA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DGK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HKB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HKC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QHA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4F9O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	14
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10574795","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10686099","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9493266","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CZA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HKB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QHA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4F9O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI13
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10574795","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1QHA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI14
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10686099","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DGK","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI15
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10574795","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10686099","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CZA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QHA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI16
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10686099","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9493266","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DGK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HKB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4F9O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI17
Number of Residues	10
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10574795","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10686099","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9493266","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CZA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DGK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HKB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QHA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4F9O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI18
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10574795","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10686099","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9493266","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CZA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HKB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QHA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI19
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10574795","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10686099","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9493266","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CZA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HKB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QHA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4F9O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FOI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FPB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI20
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P05708","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 696

Chain	Residue	Details
A	ARG539	electrostatic stabiliser, polar interaction
A	SER603	electrostatic stabiliser, polar interaction
A	ASP657	proton acceptor, proton donor

site_id	MCSA2
Number of Residues	3
Details	M-CSA 696

Chain	Residue	Details
B	ARG539	electrostatic stabiliser, polar interaction
B	SER603	electrostatic stabiliser, polar interaction
B	ASP657	proton acceptor, proton donor

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)