4RM2
Crystal structure of a benzoate coenzyme A ligase with 2-Fluoro benzoic acid
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0005524 | molecular_function | ATP binding |
| A | 0016405 | molecular_function | CoA-ligase activity |
| A | 0016874 | molecular_function | ligase activity |
| A | 0016878 | molecular_function | acid-thiol ligase activity |
| A | 0044550 | biological_process | secondary metabolite biosynthetic process |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0005524 | molecular_function | ATP binding |
| B | 0016405 | molecular_function | CoA-ligase activity |
| B | 0016874 | molecular_function | ligase activity |
| B | 0016878 | molecular_function | acid-thiol ligase activity |
| B | 0044550 | biological_process | secondary metabolite biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 3U4 A 1000 |
| Chain | Residue |
| A | ALA227 |
| A | HOH1123 |
| A | HOH1185 |
| A | TYR228 |
| A | ALA302 |
| A | GLY303 |
| A | ILE326 |
| A | GLY327 |
| A | SER328 |
| A | LEU332 |
| A | LYS427 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE 3U4 A 1001 |
| Chain | Residue |
| A | ALA221 |
| A | PHE272 |
| A | GLY274 |
| A | ALA275 |
| A | GLY278 |
| A | MET282 |
| A | HOH1398 |
| A | HOH1438 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 3U4 B 1000 |
| Chain | Residue |
| B | ALA227 |
| B | TYR228 |
| B | ALA302 |
| B | GLY303 |
| B | ILE326 |
| B | GLY327 |
| B | SER328 |
| B | LEU332 |
| B | HIS333 |
| B | LYS427 |
| B | HOH1168 |
| B | HOH1247 |
