2WWH
Plasmodium falciparum thymidylate kinase in complex with AP5dT
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004385 | molecular_function | guanylate kinase activity |
| A | 0004550 | molecular_function | nucleoside diphosphate kinase activity |
| A | 0004798 | molecular_function | dTMP 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 | 0016740 | molecular_function | transferase activity |
| A | 0046710 | biological_process | GDP metabolic process |
| A | 0050316 | molecular_function | dGMP kinase activity |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004385 | molecular_function | guanylate kinase activity |
| B | 0004550 | molecular_function | nucleoside diphosphate kinase activity |
| B | 0004798 | molecular_function | dTMP 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 | 0016740 | molecular_function | transferase activity |
| B | 0046710 | biological_process | GDP metabolic process |
| B | 0050316 | molecular_function | dGMP kinase activity |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004385 | molecular_function | guanylate kinase activity |
| C | 0004550 | molecular_function | nucleoside diphosphate kinase activity |
| C | 0004798 | molecular_function | dTMP 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 | 0016740 | molecular_function | transferase activity |
| C | 0046710 | biological_process | GDP metabolic process |
| C | 0050316 | molecular_function | dGMP kinase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE T5A A 211 |
| Chain | Residue |
| A | ASP17 |
| A | LEU59 |
| A | PHE74 |
| A | ARG78 |
| A | ARG99 |
| A | GLY104 |
| A | TYR107 |
| A | ARG145 |
| A | TYR153 |
| A | ARG182 |
| A | ILE184 |
| A | ARG18 |
| A | NA212 |
| A | NA213 |
| A | HOH2037 |
| A | HOH2061 |
| A | HOH2062 |
| A | HOH2063 |
| B | ALA170 |
| B | HIS171 |
| A | SER19 |
| A | GLY20 |
| A | LYS21 |
| A | SER22 |
| A | THR23 |
| A | PHE44 |
| A | ARG47 |
| site_id | AC2 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE T5A B 211 |
| Chain | Residue |
| B | ASP17 |
| B | ARG18 |
| B | SER19 |
| B | GLY20 |
| B | LYS21 |
| B | SER22 |
| B | THR23 |
| B | PHE44 |
| B | ARG47 |
| B | LEU59 |
| B | PHE74 |
| B | ARG78 |
| B | ARG99 |
| B | GLY104 |
| B | TYR107 |
| B | ARG145 |
| B | TYR153 |
| B | GLU154 |
| B | ARG182 |
| B | ILE184 |
| B | ILE187 |
| B | NA212 |
| B | HOH2001 |
| site_id | AC3 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE T5A C 211 |
| Chain | Residue |
| C | ASP17 |
| C | ARG18 |
| C | SER19 |
| C | GLY20 |
| C | LYS21 |
| C | SER22 |
| C | THR23 |
| C | PHE44 |
| C | PRO45 |
| C | ARG47 |
| C | LEU59 |
| C | PHE74 |
| C | ARG78 |
| C | ARG99 |
| C | SER103 |
| C | GLY104 |
| C | TYR107 |
| C | ARG145 |
| C | ARG182 |
| C | ILE184 |
| C | ILE187 |
| C | NA212 |
| C | NA213 |
| C | HOH2002 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA A 212 |
| Chain | Residue |
| A | ASP17 |
| A | GLU151 |
| A | GLU154 |
| A | T5A211 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 213 |
| Chain | Residue |
| A | SER22 |
| A | ASP98 |
| A | T5A211 |
| A | HOH2037 |
| A | HOH2061 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA B 212 |
| Chain | Residue |
| B | SER22 |
| B | ASP98 |
| B | T5A211 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA C 212 |
| Chain | Residue |
| C | SER22 |
| C | ASP98 |
| C | T5A211 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA C 213 |
| Chain | Residue |
| C | ASP17 |
| C | GLU154 |
| C | T5A211 |
| C | HOH2012 |
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 |
