2WWF
Plasmodium falciparum thymidylate kinase in complex with TMP and ADP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004385 | molecular_function | guanylate kinase activity |
| A | 0004550 | molecular_function | nucleoside diphosphate kinase activity |
| A | 0004798 | molecular_function | thymidylate kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0006177 | biological_process | GMP biosynthetic process |
| A | 0006227 | biological_process | dUDP biosynthetic process |
| A | 0006233 | biological_process | dTDP biosynthetic process |
| A | 0006235 | biological_process | dTTP biosynthetic process |
| A | 0009165 | biological_process | nucleotide biosynthetic process |
| A | 0016301 | molecular_function | kinase activity |
| A | 0046710 | biological_process | GDP metabolic process |
| A | 0046940 | biological_process | nucleoside monophosphate phosphorylation |
| A | 0050316 | molecular_function | T2-induced deoxynucleotide kinase activity |
| B | 0004385 | molecular_function | guanylate kinase activity |
| B | 0004550 | molecular_function | nucleoside diphosphate kinase activity |
| B | 0004798 | molecular_function | thymidylate kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005634 | cellular_component | nucleus |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0006177 | biological_process | GMP biosynthetic process |
| B | 0006227 | biological_process | dUDP biosynthetic process |
| B | 0006233 | biological_process | dTDP biosynthetic process |
| B | 0006235 | biological_process | dTTP biosynthetic process |
| B | 0009165 | biological_process | nucleotide biosynthetic process |
| B | 0016301 | molecular_function | kinase activity |
| B | 0046710 | biological_process | GDP metabolic process |
| B | 0046940 | biological_process | nucleoside monophosphate phosphorylation |
| B | 0050316 | molecular_function | T2-induced deoxynucleotide kinase activity |
| C | 0004385 | molecular_function | guanylate kinase activity |
| C | 0004550 | molecular_function | nucleoside diphosphate kinase activity |
| C | 0004798 | molecular_function | thymidylate kinase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0005634 | cellular_component | nucleus |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0006177 | biological_process | GMP biosynthetic process |
| C | 0006227 | biological_process | dUDP biosynthetic process |
| C | 0006233 | biological_process | dTDP biosynthetic process |
| C | 0006235 | biological_process | dTTP biosynthetic process |
| C | 0009165 | biological_process | nucleotide biosynthetic process |
| C | 0016301 | molecular_function | kinase activity |
| C | 0046710 | biological_process | GDP metabolic process |
| C | 0046940 | biological_process | nucleoside monophosphate phosphorylation |
| C | 0050316 | molecular_function | T2-induced deoxynucleotide kinase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE TMP A 211 |
| Chain | Residue |
| A | ASP17 |
| A | TYR107 |
| A | TYR153 |
| A | NA213 |
| A | HOH2029 |
| A | HOH2083 |
| A | HOH2119 |
| A | HOH2176 |
| A | HOH2177 |
| A | HOH2178 |
| A | HOH2179 |
| A | PRO45 |
| A | HOH2180 |
| A | HOH2181 |
| A | ARG47 |
| A | LEU59 |
| A | PHE74 |
| A | ARG78 |
| A | ARG99 |
| A | SER103 |
| A | GLY104 |
| site_id | AC2 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE ADP A 212 |
| Chain | Residue |
| A | ARG18 |
| A | SER19 |
| A | GLY20 |
| A | LYS21 |
| A | SER22 |
| A | THR23 |
| A | ARG145 |
| A | ARG182 |
| A | ILE184 |
| A | NA214 |
| A | HOH2115 |
| A | HOH2181 |
| A | HOH2182 |
| A | HOH2184 |
| A | HOH2185 |
| A | HOH2186 |
| A | HOH2187 |
| A | HOH2188 |
| A | HOH2189 |
| A | HOH2190 |
| B | ALA170 |
| B | HIS171 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 213 |
| Chain | Residue |
| A | ASP17 |
| A | GLU154 |
| A | TMP211 |
| A | HOH2117 |
| A | HOH2179 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA A 214 |
| Chain | Residue |
| A | SER22 |
| A | ASP98 |
| A | ADP212 |
| A | HOH2083 |
| A | HOH2084 |
| A | HOH2177 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 215 |
| Chain | Residue |
| A | GLU38 |
| A | THR49 |
| A | GLY50 |
| A | ILE51 |
| A | ASN63 |
| A | GLU80 |
| A | HOH2191 |
| A | HOH2192 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 216 |
| Chain | Residue |
| A | GLU68 |
| A | LEU114 |
| A | ASN115 |
| A | TRP118 |
| A | GLN124 |
| A | GLY125 |
| A | HOH2193 |
| A | HOH2194 |
| A | HOH2195 |
| A | HOH2196 |
| site_id | AC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 217 |
| Chain | Residue |
| A | LYS40 |
| A | GLU80 |
| A | HIS81 |
| A | GLU84 |
| A | LEU88 |
| A | LYS91 |
| A | HOH2074 |
| A | HOH2197 |
| A | HOH2198 |
| A | HOH2199 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 218 |
| Chain | Residue |
| A | TRP175 |
| A | HOH2041 |
| A | HOH2141 |
| A | HOH2144 |
| A | HOH2146 |
| site_id | AC9 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE TMP B 211 |
| Chain | Residue |
| B | HOH2022 |
| B | HOH2023 |
| B | HOH2091 |
| B | HOH2133 |
| B | HOH2134 |
| B | HOH2135 |
| B | HOH2136 |
| B | ASP17 |
| B | PHE44 |
| B | PRO45 |
| B | ARG47 |
| B | LEU59 |
| B | PHE74 |
| B | ARG78 |
| B | ARG99 |
| B | GLY104 |
| B | TYR107 |
| B | TYR153 |
| B | NA213 |
| site_id | BC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE ADP B 212 |
| Chain | Residue |
| B | ARG18 |
| B | SER19 |
| B | GLY20 |
| B | LYS21 |
| B | SER22 |
| B | THR23 |
| B | GLN143 |
| B | ARG145 |
| B | ARG182 |
| B | ILE184 |
| B | ILE187 |
| B | NA214 |
| B | HOH2137 |
| B | HOH2138 |
| B | HOH2139 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA B 213 |
| Chain | Residue |
| B | ASP17 |
| B | GLU154 |
| B | TMP211 |
| B | HOH2090 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA B 214 |
| Chain | Residue |
| B | SER22 |
| B | ASP98 |
| B | ADP212 |
| B | HOH2068 |
| B | HOH2133 |
| B | HOH2134 |
| site_id | BC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 215 |
| Chain | Residue |
| B | GLU38 |
| B | ASN63 |
| B | HOH2038 |
| C | THR49 |
| C | GLY50 |
| C | ILE51 |
| C | GLU80 |
| site_id | BC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL B 216 |
| Chain | Residue |
| B | THR49 |
| B | GLY50 |
| B | ILE51 |
| B | GLU80 |
| B | HOH2140 |
| C | GLU38 |
| C | ILE54 |
| C | ASN63 |
| C | HOH2042 |
| site_id | BC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B 217 |
| Chain | Residue |
| B | GLU68 |
| B | LEU114 |
| B | ASN115 |
| B | TRP118 |
| B | HOH2141 |
| B | HOH2142 |
| B | HOH2143 |
| B | HOH2144 |
| C | GLN124 |
| C | GLY125 |
| site_id | BC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 218 |
| Chain | Residue |
| B | ASN46 |
| B | GLU80 |
| B | HIS81 |
| B | GLU84 |
| B | HOH2145 |
| C | LYS40 |
| C | LYS91 |
| C | ILE93 |
| site_id | BC8 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE TMP C 211 |
| Chain | Residue |
| C | ASP17 |
| C | PHE44 |
| C | PRO45 |
| C | ARG47 |
| C | LEU59 |
| C | PHE74 |
| C | ARG78 |
| C | ARG99 |
| C | SER103 |
| C | GLY104 |
| C | TYR107 |
| C | TYR153 |
| C | NA213 |
| C | HOH2024 |
| C | HOH2025 |
| C | HOH2067 |
| C | HOH2095 |
| C | HOH2097 |
| C | HOH2098 |
| C | HOH2135 |
| C | HOH2136 |
| C | HOH2137 |
| site_id | BC9 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE ADP C 212 |
| Chain | Residue |
| C | ARG18 |
| C | SER19 |
| C | GLY20 |
| C | LYS21 |
| C | SER22 |
| C | THR23 |
| C | ARG145 |
| C | SER146 |
| C | ARG182 |
| C | ILE184 |
| C | ILE187 |
| C | NA214 |
| C | HOH2092 |
| C | HOH2138 |
| C | HOH2139 |
| C | HOH2140 |
| C | HOH2141 |
| C | HOH2142 |
| C | HOH2143 |
| site_id | CC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA C 213 |
| Chain | Residue |
| C | ASP17 |
| C | GLU154 |
| C | TMP211 |
| C | HOH2095 |
| C | HOH2136 |
| C | HOH2143 |
| site_id | CC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NA C 214 |
| Chain | Residue |
| C | SER22 |
| C | ASP98 |
| C | ADP212 |
| C | HOH2066 |
| C | HOH2067 |
| C | HOH2135 |
| site_id | CC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL C 215 |
| Chain | Residue |
| B | TRP79 |
| B | GLN124 |
| B | GLY125 |
| B | HOH2083 |
| C | GLU68 |
| C | LEU114 |
| C | ASN115 |
| C | TRP118 |
| C | HOH2144 |
| C | HOH2145 |
| site_id | CC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL C 216 |
| Chain | Residue |
| B | LYS91 |
| B | ILE93 |
| C | ASN46 |
| C | GLU80 |
| C | HIS81 |
| C | GLU84 |
| C | HOH2055 |
| C | HOH2060 |
Functional Information from PROSITE/UniProt
| site_id | PS01331 |
| Number of Residues | 13 |
| Details | THYMIDYLATE_KINASE Thymidylate kinase signature. VCDRYaySGvAYS |
| Chain | Residue | Details |
| A | VAL96-SER108 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 18 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20353400, ECO:0007744|PDB:2WWF |
| Chain | Residue | Details |
| A | ASP17 | |
| B | ARG78 | |
| B | ARG99 | |
| B | TYR107 | |
| C | ASP17 | |
| C | ARG47 | |
| C | PHE74 | |
| C | ARG78 | |
| C | ARG99 | |
| C | TYR107 | |
| A | ARG47 | |
| A | PHE74 | |
| A | ARG78 | |
| A | ARG99 | |
| A | TYR107 | |
| B | ASP17 | |
| B | ARG47 | |
| B | PHE74 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 21 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:20353400, ECO:0007744|PDB:2WWF, ECO:0007744|PDB:2WWG, ECO:0007744|PDB:2WWI |
| Chain | Residue | Details |
| A | ARG18 | |
| B | GLY20 | |
| B | LYS21 | |
| B | SER22 | |
| B | THR23 | |
| B | ARG182 | |
| C | ARG18 | |
| C | SER19 | |
| C | GLY20 | |
| C | LYS21 | |
| C | SER22 | |
| A | SER19 | |
| C | THR23 | |
| C | ARG182 | |
| A | GLY20 | |
| A | LYS21 | |
| A | SER22 | |
| A | THR23 | |
| A | ARG182 | |
| B | ARG18 | |
| B | SER19 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20353400, ECO:0000269|PubMed:31934749, ECO:0007744|PDB:2WWG |
| Chain | Residue | Details |
| A | SER108 | |
| A | TYR153 | |
| B | SER108 | |
| B | TYR153 | |
| C | SER108 | |
| C | TYR153 |
