2YOF
Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor
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 | 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 | 0005829 | cellular_component | cytosol |
| 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 | 0016310 | biological_process | phosphorylation |
| A | 0016740 | molecular_function | transferase 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 | 0000166 | molecular_function | nucleotide binding |
| 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 | 0005829 | cellular_component | cytosol |
| 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 | 0016310 | biological_process | phosphorylation |
| B | 0016740 | molecular_function | transferase 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 | 0000166 | molecular_function | nucleotide binding |
| 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 | 0005829 | cellular_component | cytosol |
| 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 | 0016310 | biological_process | phosphorylation |
| C | 0016740 | molecular_function | transferase 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 | 18 |
| Details | BINDING SITE FOR RESIDUE 74W A 211 |
| Chain | Residue |
| A | ASP17 |
| A | TYR107 |
| A | GLU150 |
| A | GLU151 |
| A | TYR153 |
| A | GLU154 |
| A | HOH2072 |
| A | HOH2117 |
| A | HOH2148 |
| A | HOH2180 |
| A | ARG18 |
| A | PHE44 |
| A | ARG47 |
| A | LEU59 |
| A | PHE74 |
| A | ARG78 |
| A | ARG99 |
| A | GLY104 |
| site_id | AC2 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE 74W B 211 |
| Chain | Residue |
| B | ASP17 |
| B | ARG47 |
| B | LEU59 |
| B | PHE74 |
| B | ARG78 |
| B | ARG99 |
| B | GLY104 |
| B | TYR107 |
| B | GLU150 |
| B | GLU151 |
| B | TYR153 |
| B | GLU154 |
| B | HOH2117 |
| B | HOH2146 |
| B | HOH2190 |
| site_id | AC3 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE 74W C 211 |
| Chain | Residue |
| C | ASP17 |
| C | SER22 |
| C | PRO45 |
| C | ARG47 |
| C | LEU59 |
| C | PHE74 |
| C | ARG78 |
| C | ARG99 |
| C | SER103 |
| C | GLY104 |
| C | TYR107 |
| C | TYR148 |
| C | TYR153 |
| C | ACT1212 |
| C | HOH2012 |
| C | HOH2018 |
| C | HOH2048 |
| C | HOH2084 |
| C | HOH2105 |
| C | HOH2135 |
| C | HOH2137 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 1211 |
| Chain | Residue |
| A | LEU42 |
| A | TYR43 |
| A | ASN46 |
| A | HIS81 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 1211 |
| Chain | Residue |
| B | LEU42 |
| B | TYR43 |
| B | ASN46 |
| B | HIS81 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT C 1211 |
| Chain | Residue |
| C | LEU42 |
| C | TYR43 |
| C | ASN46 |
| C | HIS81 |
| site_id | AC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE ACT C 1212 |
| Chain | Residue |
| C | ASP17 |
| C | ARG18 |
| C | SER19 |
| C | GLY20 |
| C | LYS21 |
| C | SER22 |
| C | TYR148 |
| C | 74W211 |
| C | ACT1213 |
| C | HOH2017 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT C 1213 |
| Chain | Residue |
| C | GLY20 |
| C | SER22 |
| C | THR23 |
| C | ARG145 |
| C | TYR148 |
| C | ACT1212 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE TAM A 1212 |
| Chain | Residue |
| A | LEU16 |
| A | ARG18 |
| A | SER19 |
| A | GLY20 |
| A | LYS21 |
| A | SER22 |
| A | THR23 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE TAM B 1212 |
| Chain | Residue |
| B | LEU16 |
| B | ARG18 |
| B | SER19 |
| B | GLY20 |
| B | LYS21 |
| B | SER22 |
| B | HOH2025 |
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 |
