4HDC
Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK: Compound 41)
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 | 14 |
| Details | BINDING SITE FOR RESIDUE 13Y A 301 |
| Chain | Residue |
| A | GLU37 |
| A | HOH411 |
| A | HOH443 |
| A | HOH452 |
| B | HIS172 |
| B | SER175 |
| A | ARG48 |
| A | PHE66 |
| A | SER69 |
| A | ARG70 |
| A | ARG92 |
| A | SER97 |
| A | TYR100 |
| A | GLN101 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 13Y B 301 |
| Chain | Residue |
| B | GLU11 |
| B | GLU37 |
| B | ARG48 |
| B | LEU52 |
| B | PHE66 |
| B | SER69 |
| B | ARG70 |
| B | ARG92 |
| B | SER97 |
| B | TYR100 |
| B | GLN101 |
| B | HOH452 |
| B | HOH463 |
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 |
