5H56
ADP and dTDP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004798 | molecular_function | thymidylate kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| 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 | 0046940 | biological_process | nucleoside monophosphate phosphorylation |
| B | 0004798 | molecular_function | thymidylate kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| 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 | 0046940 | biological_process | nucleoside monophosphate phosphorylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | binding site for residue ADP A 201 |
| Chain | Residue |
| A | GLY10 |
| A | GLY176 |
| A | GLU177 |
| A | GLU178 |
| A | TYD202 |
| A | MG203 |
| A | HOH313 |
| A | HOH319 |
| A | HOH329 |
| A | HOH340 |
| A | HOH344 |
| A | SER11 |
| A | HOH345 |
| A | HOH346 |
| A | HOH350 |
| A | HOH397 |
| B | GLU177 |
| A | GLY12 |
| A | LYS13 |
| A | THR14 |
| A | THR15 |
| A | ARG139 |
| A | LYS143 |
| A | ARG145 |
| site_id | AC2 |
| Number of Residues | 19 |
| Details | binding site for residue TYD A 202 |
| Chain | Residue |
| A | ASP9 |
| A | LYS13 |
| A | GLU36 |
| A | ARG47 |
| A | PHE64 |
| A | ARG90 |
| A | THR95 |
| A | TYR98 |
| A | GLN99 |
| A | ARG145 |
| A | ADP201 |
| A | MG203 |
| A | MPD208 |
| A | HOH313 |
| A | HOH319 |
| A | HOH320 |
| A | HOH338 |
| A | HOH339 |
| A | HOH378 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 203 |
| Chain | Residue |
| A | THR14 |
| A | ADP201 |
| A | TYD202 |
| A | HOH313 |
| A | HOH319 |
| A | HOH339 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 204 |
| Chain | Residue |
| A | GLU57 |
| A | LYS103 |
| A | HOH369 |
| A | HOH406 |
| A | HOH414 |
| A | HOH432 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue MG A 205 |
| Chain | Residue |
| A | ASN114 |
| A | HOH381 |
| A | HOH389 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 206 |
| Chain | Residue |
| A | GLU142 |
| A | HOH374 |
| A | HOH397 |
| A | HOH427 |
| B | GLU177 |
| B | HOH414 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue CA A 207 |
| Chain | Residue |
| A | GLU180 |
| A | HOH376 |
| A | HOH421 |
| A | HOH433 |
| B | ASP173 |
| B | SER175 |
| B | HOH393 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue MPD A 208 |
| Chain | Residue |
| A | LEU50 |
| A | GLU60 |
| A | GLN99 |
| A | LYS103 |
| A | TYD202 |
| site_id | AC9 |
| Number of Residues | 20 |
| Details | binding site for residue ADP B 201 |
| Chain | Residue |
| B | GLY10 |
| B | SER11 |
| B | GLY12 |
| B | LYS13 |
| B | THR14 |
| B | THR15 |
| B | ARG139 |
| B | LYS143 |
| B | ARG145 |
| B | GLY176 |
| B | GLU177 |
| B | GLU178 |
| B | TYD202 |
| B | MG203 |
| B | HOH315 |
| B | HOH332 |
| B | HOH337 |
| B | HOH359 |
| B | HOH371 |
| B | HOH395 |
| site_id | AD1 |
| Number of Residues | 19 |
| Details | binding site for residue TYD B 202 |
| Chain | Residue |
| B | ARG47 |
| B | PHE64 |
| B | ARG90 |
| B | THR95 |
| B | TYR98 |
| B | GLN99 |
| B | ARG145 |
| B | ADP201 |
| B | MG203 |
| B | MPD206 |
| B | HOH316 |
| B | HOH331 |
| B | HOH332 |
| B | HOH337 |
| B | HOH348 |
| B | HOH377 |
| B | ASP9 |
| B | LYS13 |
| B | GLU36 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 203 |
| Chain | Residue |
| B | THR14 |
| B | ADP201 |
| B | TYD202 |
| B | HOH332 |
| B | HOH337 |
| B | HOH377 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 204 |
| Chain | Residue |
| B | GLU57 |
| B | LYS103 |
| B | HOH322 |
| B | HOH403 |
| B | HOH406 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue MG B 205 |
| Chain | Residue |
| B | ASN114 |
| B | HOH340 |
| B | HOH378 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue MPD B 206 |
| Chain | Residue |
| B | LEU50 |
| B | GLN99 |
| B | LYS103 |
| B | TYD202 |
Functional Information from PROSITE/UniProt
| site_id | PS01331 |
| Number of Residues | 13 |
| Details | THYMIDYLATE_KINASE Thymidylate kinase signature. ILDRFvlSTiAYQ |
| Chain | Residue | Details |
| A | ILE87-GLN99 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000255 |
| Chain | Residue | Details |
| A | GLY7 | |
| B | GLY7 |
