2WWG
Plasmodium falciparum thymidylate kinase in complex with dGMP and ADP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004385 | molecular_function | GMP 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 | GMP 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 | GMP 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 | 20 |
| Details | BINDING SITE FOR RESIDUE DGP A 211 |
| Chain | Residue |
| A | ASP17 |
| A | SER108 |
| A | LEU112 |
| A | TYR153 |
| A | NA214 |
| A | HOH2010 |
| A | HOH2012 |
| A | HOH2022 |
| A | HOH2023 |
| A | HOH2062 |
| A | HOH2063 |
| A | ARG47 |
| A | HOH2081 |
| A | LEU59 |
| A | PHE74 |
| A | ARG78 |
| A | ARG99 |
| A | SER103 |
| A | GLY104 |
| A | TYR107 |
| site_id | AC2 |
| Number of Residues | 17 |
| 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 | NA213 |
| A | HOH2008 |
| A | HOH2009 |
| A | HOH2014 |
| A | HOH2081 |
| A | HOH2082 |
| B | ALA170 |
| B | HIS171 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 213 |
| Chain | Residue |
| A | SER22 |
| A | ADP212 |
| A | HOH2012 |
| A | HOH2014 |
| A | HOH2081 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 214 |
| Chain | Residue |
| A | ASP17 |
| A | GLU154 |
| A | DGP211 |
| A | HOH2010 |
| A | HOH2062 |
| site_id | AC5 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE DGP B 211 |
| Chain | Residue |
| B | ASP17 |
| B | PRO45 |
| B | ARG47 |
| B | LEU59 |
| B | PHE74 |
| B | ARG78 |
| B | ARG99 |
| B | SER103 |
| B | GLY104 |
| B | TYR107 |
| B | SER108 |
| B | TYR153 |
| B | NA214 |
| B | HOH2008 |
| B | HOH2009 |
| site_id | AC6 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE ADP B 212 |
| Chain | Residue |
| B | ARG18 |
| B | SER19 |
| B | GLY20 |
| B | LYS21 |
| B | SER22 |
| B | THR23 |
| B | ASN144 |
| B | ARG145 |
| B | ARG182 |
| B | ILE184 |
| B | ILE187 |
| B | NA213 |
| B | GOL1005 |
| B | HOH2008 |
| B | HOH2010 |
| B | HOH2058 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA B 213 |
| Chain | Residue |
| B | SER22 |
| B | ASP98 |
| B | ADP212 |
| B | HOH2009 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA B 214 |
| Chain | Residue |
| B | ASP17 |
| B | DGP211 |
| B | HOH2005 |
| B | HOH2007 |
| B | HOH2008 |
| site_id | AC9 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE DGP C 211 |
| Chain | Residue |
| C | NA213 |
| C | NA214 |
| C | HOH2005 |
| C | ASP17 |
| C | PRO45 |
| C | ARG47 |
| C | LEU59 |
| C | PHE74 |
| C | ARG78 |
| C | ARG99 |
| C | SER103 |
| C | GLY104 |
| C | TYR107 |
| C | SER108 |
| C | TYR153 |
| site_id | BC1 |
| Number of Residues | 13 |
| 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 | ARG182 |
| C | ILE187 |
| C | NA213 |
| C | HOH2003 |
| C | HOH2025 |
| C | HOH2030 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA C 213 |
| Chain | Residue |
| C | SER22 |
| C | ASP98 |
| C | DGP211 |
| C | ADP212 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA C 214 |
| Chain | Residue |
| C | ASP17 |
| C | GLU154 |
| C | DGP211 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 1001 |
| Chain | Residue |
| A | GLU38 |
| A | THR49 |
| A | GLY50 |
| A | ILE51 |
| A | SER64 |
| A | GLU80 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 1002 |
| Chain | Residue |
| A | GLU68 |
| A | GLN124 |
| A | GLY125 |
| A | HOH2046 |
| site_id | BC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GOL A 1003 |
| Chain | Residue |
| A | ASN67 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 1004 |
| Chain | Residue |
| A | HIS171 |
| A | HOH2070 |
| A | HOH2071 |
| A | HOH2074 |
| A | HOH2083 |
| site_id | BC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1005 |
| Chain | Residue |
| A | ASN46 |
| A | GLU80 |
| A | HIS81 |
| A | GLU84 |
| A | LEU88 |
| A | HOH2024 |
| A | HOH2039 |
| A | HOH2085 |
| site_id | BC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL A 1006 |
| Chain | Residue |
| A | THR196 |
| A | ILE198 |
| site_id | CC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 1007 |
| Chain | Residue |
| A | ASN113 |
| A | LEU114 |
| A | HOH2046 |
| C | LYS183 |
| site_id | CC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GOL A 1008 |
| Chain | Residue |
| A | ASN177 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 1001 |
| Chain | Residue |
| B | GLU68 |
| B | LEU114 |
| B | ASN115 |
| B | TRP118 |
| C | GLY125 |
| C | HOH2018 |
| site_id | CC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 1002 |
| Chain | Residue |
| B | GLU38 |
| B | SER64 |
| C | THR49 |
| C | GLY50 |
| C | ILE51 |
| C | GLU80 |
| C | HOH2015 |
| site_id | CC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 1003 |
| Chain | Residue |
| B | THR49 |
| B | GLY50 |
| B | ILE51 |
| B | GLU80 |
| C | GLU38 |
| C | SER64 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 1004 |
| Chain | Residue |
| B | LYS91 |
| B | HOH2062 |
| C | GLU80 |
| C | HIS81 |
| C | GLU84 |
| site_id | CC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL B 1005 |
| Chain | Residue |
| B | ILE184 |
| B | ADP212 |
| site_id | CC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 1006 |
| Chain | Residue |
| B | GLU80 |
| B | HIS81 |
| B | GLU84 |
| B | HOH2030 |
| B | HOH2064 |
| C | LYS40 |
| C | LYS91 |
| site_id | CC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL C 1001 |
| Chain | Residue |
| B | GLN124 |
| B | GLY125 |
| B | HOH2039 |
| B | HOH2040 |
| C | GLU68 |
| C | LEU114 |
| C | ASN115 |
| C | TRP118 |
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 | 36 |
| Details | Region: {"description":"LID","evidences":[{"source":"PubMed","id":"20353400","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 18 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"20353400","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2WWF","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 21 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"20353400","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"2WWF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WWG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WWI","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"20353400","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"31934749","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2WWG","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
