4S35
AMPPCP and TMP 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 ACP A 201 |
| Chain | Residue |
| A | ASP9 |
| A | GLU147 |
| A | GLY176 |
| A | GLU178 |
| A | TMP202 |
| A | MG203 |
| A | HOH301 |
| A | HOH302 |
| A | HOH303 |
| A | HOH397 |
| A | HOH398 |
| A | GLY10 |
| A | HOH399 |
| A | HOH404 |
| A | HOH407 |
| A | HOH408 |
| A | HOH485 |
| A | SER11 |
| A | GLY12 |
| A | LYS13 |
| A | THR14 |
| A | THR15 |
| A | ARG90 |
| A | ARG139 |
| site_id | AC2 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE TMP A 202 |
| Chain | Residue |
| A | ASP9 |
| A | GLU36 |
| A | PRO37 |
| A | ARG47 |
| A | PHE64 |
| A | ARG90 |
| A | THR95 |
| A | TYR98 |
| A | GLN99 |
| A | ASN144 |
| A | PHE146 |
| A | ACP201 |
| A | HOH302 |
| A | HOH303 |
| A | HOH408 |
| A | HOH409 |
| A | HOH457 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 203 |
| Chain | Residue |
| A | THR14 |
| A | ACP201 |
| A | HOH301 |
| A | HOH302 |
| A | HOH303 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 204 |
| Chain | Residue |
| A | TYR29 |
| A | PHE30 |
| A | ASP83 |
| A | ASN148 |
| A | GLU150 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 205 |
| Chain | Residue |
| A | ASP134 |
| A | ILE135 |
| A | ARG138 |
| A | HOH359 |
| site_id | AC6 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE ACP B 201 |
| Chain | Residue |
| B | ASP9 |
| B | GLY10 |
| B | SER11 |
| B | GLY12 |
| B | LYS13 |
| B | THR14 |
| B | THR15 |
| B | ARG90 |
| B | ARG139 |
| B | GLU147 |
| B | GLY176 |
| B | GLU177 |
| B | GLU178 |
| B | TMP202 |
| B | MG203 |
| B | HOH301 |
| B | HOH302 |
| B | HOH303 |
| B | HOH323 |
| B | HOH369 |
| B | HOH372 |
| B | HOH374 |
| B | HOH375 |
| B | HOH376 |
| site_id | AC7 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE TMP B 202 |
| Chain | Residue |
| B | ASP9 |
| B | GLU36 |
| B | PRO37 |
| B | ARG47 |
| B | PHE64 |
| B | ARG90 |
| B | THR95 |
| B | TYR98 |
| B | GLN99 |
| B | ASN144 |
| B | PHE146 |
| B | ACP201 |
| B | HOH301 |
| B | HOH303 |
| B | HOH323 |
| B | HOH358 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 203 |
| Chain | Residue |
| B | HOH303 |
| B | THR14 |
| B | ACP201 |
| B | HOH301 |
| B | HOH302 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG B 204 |
| Chain | Residue |
| B | VAL133 |
| B | GLU153 |
| B | ARG156 |
| site_id | BC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL B 205 |
| Chain | Residue |
| B | ASN114 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 206 |
| Chain | Residue |
| A | VAL195 |
| B | GLU179 |
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 |
