5NRN
Mtb TMK crystal structure in complex with compound 3
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0004798 | molecular_function | thymidylate kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005525 | molecular_function | GTP 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 | 0042803 | molecular_function | protein homodimerization activity |
| A | 0046044 | biological_process | TMP metabolic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0046940 | biological_process | nucleoside monophosphate phosphorylation |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0004798 | molecular_function | thymidylate kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005525 | molecular_function | GTP 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 | 0042803 | molecular_function | protein homodimerization activity |
| B | 0046044 | biological_process | TMP metabolic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0046940 | biological_process | nucleoside monophosphate phosphorylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | binding site for residue 95W A 301 |
| Chain | Residue |
| A | LEU52 |
| A | HOH452 |
| A | PHE70 |
| A | ARG74 |
| A | SER99 |
| A | ASN100 |
| A | TYR103 |
| A | ARG107 |
| A | LEU171 |
| A | HOH425 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue CL A 302 |
| Chain | Residue |
| A | GLY195 |
| A | ALA196 |
| A | ASP197 |
| B | GLY195 |
| B | VAL198 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 303 |
| Chain | Residue |
| A | MET1 |
| A | CYS85 |
| B | ARG151 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue CL A 304 |
| Chain | Residue |
| A | TRP119 |
| A | ARG122 |
| B | GLU55 |
| B | HIS56 |
| B | HOH503 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | binding site for residue 95W B 301 |
| Chain | Residue |
| B | LEU52 |
| B | PHE70 |
| B | ARG74 |
| B | ASN100 |
| B | TYR103 |
| B | ARG107 |
| B | GLY152 |
| B | ARG153 |
| B | LEU171 |
| B | HOH441 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue CL B 302 |
| Chain | Residue |
| A | ARG86 |
| B | GLY10 |
| B | ALA11 |
| B | GLY12 |
| B | LYS13 |
| B | HOH472 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 303 |
| Chain | Residue |
| B | ARG25 |
| B | SER30 |
| B | VAL31 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 304 |
| Chain | Residue |
| B | ARG107 |
| B | ARG153 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue CL B 305 |
| Chain | Residue |
| A | HOH418 |
| B | GLN155 |
| B | ARG156 |
| B | HOH509 |
| B | HOH537 |
Functional Information from PROSITE/UniProt
| site_id | PS01331 |
| Number of Residues | 13 |
| Details | THYMIDYLATE_KINASE Thymidylate kinase signature. ILDRYvaSNaAYS |
| Chain | Residue | Details |
| A | ILE92-SER104 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 22 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | GLY7 | |
| A | TYR165 | |
| A | GLU166 | |
| B | GLY7 | |
| B | ASP9 | |
| B | TYR39 | |
| B | PHE70 | |
| B | ARG74 | |
| B | ARG95 | |
| B | ASN100 | |
| B | TYR103 | |
| A | ASP9 | |
| B | ASP163 | |
| B | TYR165 | |
| B | GLU166 | |
| A | TYR39 | |
| A | PHE70 | |
| A | ARG74 | |
| A | ARG95 | |
| A | ASN100 | |
| A | TYR103 | |
| A | ASP163 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | SITE: Transition state stabilizer => ECO:0000255 |
| Chain | Residue | Details |
| A | ARG153 | |
| B | ARG153 |
