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 | 0005737 | cellular_component | cytoplasm |
| 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 | 0016020 | cellular_component | membrane |
| 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 | 0061728 | biological_process | GDP-mannose biosynthetic process from mannose |
| 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 | 0005737 | cellular_component | cytoplasm |
| 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 | 0016020 | cellular_component | membrane |
| 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 | 0061728 | biological_process | GDP-mannose biosynthetic process from mannose |
| 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 | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10574795, ECO:0000269|PubMed:10686099, ECO:0007744|PDB:1CZA, ECO:0007744|PDB:1DGK, ECO:0007744|PDB:1QHA |
| Chain | Residue | Details |
| A | ARG30 | |
| A | ARG425 | |
| B | ARG30 | |
| B | ARG425 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10686099, ECO:0000269|PubMed:9735292, ECO:0007744|PDB:1DGK, ECO:0007744|PDB:1HKC |
| Chain | Residue | Details |
| A | ASP84 | |
| A | THR863 | |
| B | ASP84 | |
| B | THR863 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10686099, ECO:0000269|PubMed:9493266, ECO:0000269|PubMed:9735292, ECO:0007744|PDB:1DGK, ECO:0007744|PDB:1HKB, ECO:0007744|PDB:1HKC, ECO:0007744|PDB:4F9O, ECO:0007744|PDB:4FOE, ECO:0007744|PDB:4FOI, ECO:0007744|PDB:4FPA |
| Chain | Residue | Details |
| A | SER155 | |
| B | SER155 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10574795, ECO:0000269|PubMed:10686099, ECO:0000269|PubMed:9493266, ECO:0000269|PubMed:9735292, ECO:0007744|PDB:1CZA, ECO:0007744|PDB:1DGK, ECO:0007744|PDB:1HKB, ECO:0007744|PDB:1HKC, ECO:0007744|PDB:1QHA, ECO:0007744|PDB:4F9O, ECO:0007744|PDB:4FOE, ECO:0007744|PDB:4FOI, ECO:0007744|PDB:4FPA, ECO:0007744|PDB:4FPB |
| Chain | Residue | Details |
| A | THR172 | |
| B | GLN291 | |
| A | ASN208 | |
| A | ASN235 | |
| A | GLU260 | |
| A | GLN291 | |
| B | THR172 | |
| B | ASN208 | |
| B | ASN235 | |
| B | GLU260 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10574795, ECO:0000269|PubMed:10686099, ECO:0000269|PubMed:9493266, ECO:0007744|PDB:1CZA, ECO:0007744|PDB:1HKB, ECO:0007744|PDB:1QHA, ECO:0007744|PDB:4FOE, ECO:0007744|PDB:4FOI, ECO:0007744|PDB:4FPA |
| Chain | Residue | Details |
| A | ASP209 | |
| B | ASP209 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10574795, ECO:0000269|PubMed:10686099, ECO:0000269|PubMed:9493266, ECO:0007744|PDB:1CZA, ECO:0007744|PDB:1HKB, ECO:0007744|PDB:1QHA, ECO:0007744|PDB:4F9O, ECO:0007744|PDB:4FOE, ECO:0007744|PDB:4FOI, ECO:0007744|PDB:4FPA, ECO:0007744|PDB:4FPB |
| Chain | Residue | Details |
| A | THR232 | |
| B | ASP861 | |
| A | ASP413 | |
| A | SER449 | |
| A | THR680 | |
| A | ASP861 | |
| B | THR232 | |
| B | ASP413 | |
| B | SER449 | |
| B | THR680 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10574795, ECO:0007744|PDB:1QHA |
| Chain | Residue | Details |
| A | ASN345 | |
| B | ASN345 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10574795, ECO:0000269|PubMed:10686099, ECO:0007744|PDB:1CZA, ECO:0007744|PDB:1QHA, ECO:0007744|PDB:4FOE, ECO:0007744|PDB:4FOI, ECO:0007744|PDB:4FPA |
| Chain | Residue | Details |
| A | ASP532 | |
| B | ASP532 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10686099, ECO:0000269|PubMed:9493266, ECO:0007744|PDB:1DGK, ECO:0007744|PDB:1HKB, ECO:0007744|PDB:4F9O, ECO:0007744|PDB:4FOE, ECO:0007744|PDB:4FOI, ECO:0007744|PDB:4FPA, ECO:0007744|PDB:4FPB |
| Chain | Residue | Details |
| A | SER603 | |
| B | SER603 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10574795, ECO:0000269|PubMed:10686099, ECO:0000269|PubMed:9493266, ECO:0007744|PDB:1CZA, ECO:0007744|PDB:1DGK, ECO:0007744|PDB:1HKB, ECO:0007744|PDB:1QHA, ECO:0007744|PDB:4F9O, ECO:0007744|PDB:4FOE, ECO:0007744|PDB:4FOI, ECO:0007744|PDB:4FPA, ECO:0007744|PDB:4FPB |
| Chain | Residue | Details |
| A | THR620 | |
| B | GLU742 | |
| A | ASN656 | |
| A | SER682 | |
| A | GLU708 | |
| A | GLU742 | |
| B | THR620 | |
| B | ASN656 | |
| B | SER682 | |
| B | GLU708 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10574795, ECO:0000269|PubMed:10686099, ECO:0000269|PubMed:9493266, ECO:0007744|PDB:1CZA, ECO:0007744|PDB:1HKB, ECO:0007744|PDB:1QHA, ECO:0007744|PDB:4FOI, ECO:0007744|PDB:4FPA |
| Chain | Residue | Details |
| A | ASP657 | |
| B | ASP657 |
| site_id | SWS_FT_FI12 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10686099, ECO:0007744|PDB:1DGK |
| Chain | Residue | Details |
| A | GLY747 | |
| A | THR784 | |
| B | GLY747 | |
| B | THR784 |
| site_id | SWS_FT_FI13 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10574795, ECO:0000269|PubMed:10686099, ECO:0000269|PubMed:9493266, ECO:0007744|PDB:1CZA, ECO:0007744|PDB:1HKB, ECO:0007744|PDB:1QHA, ECO:0007744|PDB:4F9O, ECO:0007744|PDB:4FOI, ECO:0007744|PDB:4FPA, ECO:0007744|PDB:4FPB |
| Chain | Residue | Details |
| A | SER897 | |
| B | SER897 |
| site_id | SWS_FT_FI14 |
| Number of Residues | 2 |
| Details | MOD_RES: N-acetylmethionine => ECO:0000269|Ref.7, ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:25944712 |
| Chain | Residue | Details |
| A | MET1 | |
| B | MET1 |
| site_id | SWS_FT_FI15 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P05708 |
| Chain | Residue | Details |
| A | SER337 | |
| B | SER337 |
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 |
