1BZY
HUMAN HGPRTASE WITH TRANSITION STATE INHIBITOR
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0001913 | biological_process | T cell mediated cytotoxicity |
| A | 0001975 | biological_process | response to amphetamine |
| A | 0004422 | molecular_function | hypoxanthine phosphoribosyltransferase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006164 | biological_process | purine nucleotide biosynthetic process |
| A | 0006166 | biological_process | purine ribonucleoside salvage |
| A | 0006178 | biological_process | guanine salvage |
| A | 0007625 | biological_process | grooming behavior |
| A | 0007626 | biological_process | locomotory behavior |
| A | 0016757 | molecular_function | glycosyltransferase activity |
| A | 0021756 | biological_process | striatum development |
| A | 0021895 | biological_process | cerebral cortex neuron differentiation |
| A | 0021954 | biological_process | central nervous system neuron development |
| A | 0032263 | biological_process | GMP salvage |
| A | 0032264 | biological_process | IMP salvage |
| A | 0042417 | biological_process | dopamine metabolic process |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0043103 | biological_process | hypoxanthine salvage |
| A | 0044209 | biological_process | AMP salvage |
| A | 0045964 | biological_process | positive regulation of dopamine metabolic process |
| A | 0046038 | biological_process | GMP catabolic process |
| A | 0046040 | biological_process | IMP metabolic process |
| A | 0046083 | biological_process | adenine metabolic process |
| A | 0046100 | biological_process | hypoxanthine metabolic process |
| A | 0046651 | biological_process | lymphocyte proliferation |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0048813 | biological_process | dendrite morphogenesis |
| A | 0051289 | biological_process | protein homotetramerization |
| A | 0052657 | molecular_function | guanine phosphoribosyltransferase activity |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 0071542 | biological_process | dopaminergic neuron differentiation |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0001913 | biological_process | T cell mediated cytotoxicity |
| B | 0001975 | biological_process | response to amphetamine |
| B | 0004422 | molecular_function | hypoxanthine phosphoribosyltransferase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006164 | biological_process | purine nucleotide biosynthetic process |
| B | 0006166 | biological_process | purine ribonucleoside salvage |
| B | 0006178 | biological_process | guanine salvage |
| B | 0007625 | biological_process | grooming behavior |
| B | 0007626 | biological_process | locomotory behavior |
| B | 0016757 | molecular_function | glycosyltransferase activity |
| B | 0021756 | biological_process | striatum development |
| B | 0021895 | biological_process | cerebral cortex neuron differentiation |
| B | 0021954 | biological_process | central nervous system neuron development |
| B | 0032263 | biological_process | GMP salvage |
| B | 0032264 | biological_process | IMP salvage |
| B | 0042417 | biological_process | dopamine metabolic process |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0043103 | biological_process | hypoxanthine salvage |
| B | 0044209 | biological_process | AMP salvage |
| B | 0045964 | biological_process | positive regulation of dopamine metabolic process |
| B | 0046038 | biological_process | GMP catabolic process |
| B | 0046040 | biological_process | IMP metabolic process |
| B | 0046083 | biological_process | adenine metabolic process |
| B | 0046100 | biological_process | hypoxanthine metabolic process |
| B | 0046651 | biological_process | lymphocyte proliferation |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0048813 | biological_process | dendrite morphogenesis |
| B | 0051289 | biological_process | protein homotetramerization |
| B | 0052657 | molecular_function | guanine phosphoribosyltransferase activity |
| B | 0070062 | cellular_component | extracellular exosome |
| B | 0071542 | biological_process | dopaminergic neuron differentiation |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0001913 | biological_process | T cell mediated cytotoxicity |
| C | 0001975 | biological_process | response to amphetamine |
| C | 0004422 | molecular_function | hypoxanthine phosphoribosyltransferase activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0006164 | biological_process | purine nucleotide biosynthetic process |
| C | 0006166 | biological_process | purine ribonucleoside salvage |
| C | 0006178 | biological_process | guanine salvage |
| C | 0007625 | biological_process | grooming behavior |
| C | 0007626 | biological_process | locomotory behavior |
| C | 0016757 | molecular_function | glycosyltransferase activity |
| C | 0021756 | biological_process | striatum development |
| C | 0021895 | biological_process | cerebral cortex neuron differentiation |
| C | 0021954 | biological_process | central nervous system neuron development |
| C | 0032263 | biological_process | GMP salvage |
| C | 0032264 | biological_process | IMP salvage |
| C | 0042417 | biological_process | dopamine metabolic process |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0043103 | biological_process | hypoxanthine salvage |
| C | 0044209 | biological_process | AMP salvage |
| C | 0045964 | biological_process | positive regulation of dopamine metabolic process |
| C | 0046038 | biological_process | GMP catabolic process |
| C | 0046040 | biological_process | IMP metabolic process |
| C | 0046083 | biological_process | adenine metabolic process |
| C | 0046100 | biological_process | hypoxanthine metabolic process |
| C | 0046651 | biological_process | lymphocyte proliferation |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0048813 | biological_process | dendrite morphogenesis |
| C | 0051289 | biological_process | protein homotetramerization |
| C | 0052657 | molecular_function | guanine phosphoribosyltransferase activity |
| C | 0070062 | cellular_component | extracellular exosome |
| C | 0071542 | biological_process | dopaminergic neuron differentiation |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0001913 | biological_process | T cell mediated cytotoxicity |
| D | 0001975 | biological_process | response to amphetamine |
| D | 0004422 | molecular_function | hypoxanthine phosphoribosyltransferase activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0006164 | biological_process | purine nucleotide biosynthetic process |
| D | 0006166 | biological_process | purine ribonucleoside salvage |
| D | 0006178 | biological_process | guanine salvage |
| D | 0007625 | biological_process | grooming behavior |
| D | 0007626 | biological_process | locomotory behavior |
| D | 0016757 | molecular_function | glycosyltransferase activity |
| D | 0021756 | biological_process | striatum development |
| D | 0021895 | biological_process | cerebral cortex neuron differentiation |
| D | 0021954 | biological_process | central nervous system neuron development |
| D | 0032263 | biological_process | GMP salvage |
| D | 0032264 | biological_process | IMP salvage |
| D | 0042417 | biological_process | dopamine metabolic process |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0043103 | biological_process | hypoxanthine salvage |
| D | 0044209 | biological_process | AMP salvage |
| D | 0045964 | biological_process | positive regulation of dopamine metabolic process |
| D | 0046038 | biological_process | GMP catabolic process |
| D | 0046040 | biological_process | IMP metabolic process |
| D | 0046083 | biological_process | adenine metabolic process |
| D | 0046100 | biological_process | hypoxanthine metabolic process |
| D | 0046651 | biological_process | lymphocyte proliferation |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0048813 | biological_process | dendrite morphogenesis |
| D | 0051289 | biological_process | protein homotetramerization |
| D | 0052657 | molecular_function | guanine phosphoribosyltransferase activity |
| D | 0070062 | cellular_component | extracellular exosome |
| D | 0071542 | biological_process | dopaminergic neuron differentiation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 900 |
| Chain | Residue |
| A | IMU300 |
| A | POP400 |
| A | HOH582 |
| A | HOH631 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 901 |
| Chain | Residue |
| A | ASP193 |
| A | POP400 |
| A | HOH630 |
| A | HOH657 |
| A | HOH706 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG B 900 |
| Chain | Residue |
| B | IMU300 |
| B | POP400 |
| B | HOH577 |
| B | HOH635 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 901 |
| Chain | Residue |
| B | ASP193 |
| B | POP400 |
| B | HOH597 |
| B | HOH655 |
| B | HOH704 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG C 900 |
| Chain | Residue |
| C | IMU300 |
| C | POP400 |
| C | HOH654 |
| C | HOH757 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG C 901 |
| Chain | Residue |
| C | ASP193 |
| C | POP400 |
| C | HOH586 |
| C | HOH640 |
| C | HOH698 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG D 900 |
| Chain | Residue |
| D | IMU300 |
| D | POP400 |
| D | HOH653 |
| D | HOH659 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG D 901 |
| Chain | Residue |
| D | ASP193 |
| D | POP400 |
| D | HOH627 |
| D | HOH751 |
| D | HOH770 |
| site_id | AC9 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE IMU A 300 |
| Chain | Residue |
| A | TYR104 |
| A | GLU133 |
| A | ASP134 |
| A | ILE135 |
| A | ASP137 |
| A | THR138 |
| A | GLY139 |
| A | LYS140 |
| A | THR141 |
| A | LYS165 |
| A | LYS185 |
| A | PHE186 |
| A | VAL187 |
| A | LEU192 |
| A | ASP193 |
| A | POP400 |
| A | HOH506 |
| A | HOH660 |
| A | HOH706 |
| A | MG900 |
| site_id | BC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE POP A 400 |
| Chain | Residue |
| A | LYS68 |
| A | GLY69 |
| A | LYS102 |
| A | SER103 |
| A | TYR104 |
| A | ASP193 |
| A | ARG199 |
| A | IMU300 |
| A | HOH582 |
| A | HOH590 |
| A | HOH607 |
| A | HOH631 |
| A | HOH696 |
| A | HOH722 |
| A | MG900 |
| A | MG901 |
| site_id | BC2 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE IMU B 300 |
| Chain | Residue |
| B | TYR104 |
| B | GLU133 |
| B | ASP134 |
| B | ILE135 |
| B | ASP137 |
| B | THR138 |
| B | GLY139 |
| B | LYS140 |
| B | THR141 |
| B | LYS165 |
| B | PHE186 |
| B | VAL187 |
| B | LEU192 |
| B | ASP193 |
| B | POP400 |
| B | HOH501 |
| B | HOH577 |
| B | HOH655 |
| B | HOH677 |
| B | MG900 |
| site_id | BC3 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE POP B 400 |
| Chain | Residue |
| B | IMU300 |
| B | HOH570 |
| B | HOH577 |
| B | HOH588 |
| B | HOH632 |
| B | HOH704 |
| B | HOH785 |
| B | MG900 |
| B | MG901 |
| B | LYS68 |
| B | GLY69 |
| B | LYS102 |
| B | SER103 |
| B | TYR104 |
| B | ASP193 |
| B | ARG199 |
| site_id | BC4 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE IMU C 300 |
| Chain | Residue |
| C | TYR104 |
| C | GLU133 |
| C | ASP134 |
| C | ILE135 |
| C | ASP137 |
| C | THR138 |
| C | GLY139 |
| C | LYS140 |
| C | THR141 |
| C | LYS165 |
| C | PHE186 |
| C | VAL187 |
| C | LEU192 |
| C | ASP193 |
| C | POP400 |
| C | HOH603 |
| C | HOH640 |
| C | HOH645 |
| C | MG900 |
| site_id | BC5 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE POP C 400 |
| Chain | Residue |
| C | LEU67 |
| C | LYS68 |
| C | GLY69 |
| C | LEU101 |
| C | LYS102 |
| C | SER103 |
| C | TYR104 |
| C | ASP193 |
| C | ARG199 |
| C | IMU300 |
| C | HOH654 |
| C | HOH674 |
| C | HOH698 |
| C | MG900 |
| C | MG901 |
| site_id | BC6 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE IMU D 300 |
| Chain | Residue |
| D | TYR104 |
| D | GLU133 |
| D | ASP134 |
| D | ILE135 |
| D | ASP137 |
| D | THR138 |
| D | GLY139 |
| D | LYS140 |
| D | THR141 |
| D | LYS165 |
| D | LYS185 |
| D | PHE186 |
| D | VAL187 |
| D | LEU192 |
| D | ASP193 |
| D | POP400 |
| D | HOH504 |
| D | HOH703 |
| D | HOH751 |
| D | MG900 |
| site_id | BC7 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE POP D 400 |
| Chain | Residue |
| D | LYS68 |
| D | GLY69 |
| D | LYS102 |
| D | SER103 |
| D | TYR104 |
| D | ASP193 |
| D | ARG199 |
| D | IMU300 |
| D | HOH549 |
| D | HOH653 |
| D | HOH659 |
| D | HOH702 |
| D | HOH751 |
| D | HOH769 |
| D | MG900 |
| D | MG901 |
Functional Information from PROSITE/UniProt
| site_id | PS00103 |
| Number of Residues | 13 |
| Details | PUR_PYR_PR_TRANSFER Purine/pyrimidine phosphoribosyl transferases signature. VLIVEDIIDTGkT |
| Chain | Residue | Details |
| A | VAL129-THR141 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305 |
| Chain | Residue | Details |
| A | THR138 | |
| B | THR138 | |
| C | THR138 | |
| D | THR138 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:8044844 |
| Chain | Residue | Details |
| A | GLY69 | |
| C | ASP134 | |
| C | ARG166 | |
| C | PHE186 | |
| D | GLY69 | |
| D | ASP134 | |
| D | ARG166 | |
| D | PHE186 | |
| A | ASP134 | |
| A | ARG166 | |
| A | PHE186 | |
| B | GLY69 | |
| B | ASP134 | |
| B | ARG166 | |
| B | PHE186 | |
| C | GLY69 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | TYR194 | |
| B | TYR194 | |
| C | TYR194 | |
| D | TYR194 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | MOD_RES: N-acetylalanine => ECO:0000269|PubMed:7107641 |
| Chain | Residue | Details |
| A | THR2 | |
| B | THR2 | |
| C | THR2 | |
| D | THR2 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P00493 |
| Chain | Residue | Details |
| A | SER103 | |
| B | SER103 | |
| C | SER103 | |
| D | SER103 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P27605 |
| Chain | Residue | Details |
| A | MET142 | |
| B | MET142 | |
| C | MET142 | |
| D | MET142 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 8 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| A | VAL115 | |
| B | VAL115 | |
| C | VAL115 | |
| D | VAL115 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 10360366, 11258886, 11188695, 10545171, 9083019, 9521733 |
| Chain | Residue | Details |
| A | GLU133 | |
| A | ASP134 | |
| A | ARG169 | |
| A | ASP137 | |
| A | TYR104 |
| site_id | CSA2 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 10360366, 11258886, 11188695, 10545171, 9083019, 9521733 |
| Chain | Residue | Details |
| B | GLU133 | |
| B | ASP134 | |
| B | ARG169 | |
| B | ASP137 | |
| B | TYR104 |
| site_id | CSA3 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 10360366, 11258886, 11188695, 10545171, 9083019, 9521733 |
| Chain | Residue | Details |
| C | GLU133 | |
| C | ASP134 | |
| C | ARG169 | |
| C | ASP137 | |
| C | TYR104 |
| site_id | CSA4 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 10360366, 11258886, 11188695, 10545171, 9083019, 9521733 |
| Chain | Residue | Details |
| D | GLU133 | |
| D | ASP134 | |
| D | ARG169 | |
| D | ASP137 | |
| D | TYR104 |
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 48 |
| Chain | Residue | Details |
| A | ASP134 | attractive charge-charge interaction, electrostatic stabiliser |
| A | ILE135 | attractive charge-charge interaction, electrostatic stabiliser |
| A | THR138 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | VAL187 | electrostatic stabiliser |
| A | ASP200 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 48 |
| Chain | Residue | Details |
| B | ASP134 | attractive charge-charge interaction, electrostatic stabiliser |
| B | ILE135 | attractive charge-charge interaction, electrostatic stabiliser |
| B | THR138 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | VAL187 | electrostatic stabiliser |
| B | ASP200 | electrostatic stabiliser |
| site_id | MCSA3 |
| Number of Residues | 5 |
| Details | M-CSA 48 |
| Chain | Residue | Details |
| C | ASP134 | attractive charge-charge interaction, electrostatic stabiliser |
| C | ILE135 | attractive charge-charge interaction, electrostatic stabiliser |
| C | THR138 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | VAL187 | electrostatic stabiliser |
| C | ASP200 | electrostatic stabiliser |
| site_id | MCSA4 |
| Number of Residues | 5 |
| Details | M-CSA 48 |
| Chain | Residue | Details |
| D | ASP134 | attractive charge-charge interaction, electrostatic stabiliser |
| D | ILE135 | attractive charge-charge interaction, electrostatic stabiliser |
| D | THR138 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | VAL187 | electrostatic stabiliser |
| D | ASP200 | electrostatic stabiliser |
