4QG7
S.aureus TMK in complex with a potent inhibitor compound 18, 2-(3-CHLOROPHENOXY)-3-METHOXY-4-{[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]METHYL}BENZOIC ACID
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004798 | molecular_function | thymidylate kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| 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 | 0046940 | biological_process | nucleoside monophosphate phosphorylation |
| B | 0004798 | molecular_function | thymidylate kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| 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 | 0046940 | biological_process | nucleoside monophosphate phosphorylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE 32K A 301 |
| Chain | Residue |
| A | GLU37 |
| A | GLN101 |
| A | HOH428 |
| A | HOH514 |
| A | HOH515 |
| B | HIS172 |
| B | SER175 |
| A | ARG48 |
| A | LEU52 |
| A | PHE66 |
| A | SER69 |
| A | ARG70 |
| A | ARG92 |
| A | SER97 |
| A | TYR100 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 32K B 301 |
| Chain | Residue |
| B | GLU37 |
| B | ARG48 |
| B | VAL51 |
| B | PHE66 |
| B | SER69 |
| B | ARG70 |
| B | ARG92 |
| B | SER97 |
| B | TYR100 |
| B | GLN101 |
| B | HOH516 |
| B | HOH517 |
| B | HOH518 |
Functional Information from PROSITE/UniProt
| site_id | PS01331 |
| Number of Residues | 13 |
| Details | THYMIDYLATE_KINASE Thymidylate kinase signature. LCDRYidSSlAYQ |
| Chain | Residue | Details |
| A | LEU89-GLN101 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00165 |
| Chain | Residue | Details |
| A | GLY9 | |
| B | GLY9 |
