6M2U
The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in complex with 2-chloro-1,3-thiazole-5-carboxylate-AMP
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 | 26 |
| Details | binding site for residues AMP A 601 and F0O A 602 |
| Chain | Residue |
| A | TYR228 |
| A | SER328 |
| A | THR329 |
| A | ALA333 |
| A | ALA334 |
| A | SER404 |
| A | ASP406 |
| A | ARG421 |
| A | LYS427 |
| A | TYR432 |
| A | HOH724 |
| A | ALA302 |
| A | HOH727 |
| A | HOH749 |
| A | HOH818 |
| A | HOH920 |
| A | HOH944 |
| A | HOH1076 |
| A | HOH1200 |
| A | GLY303 |
| A | GLU304 |
| A | ALA305 |
| A | ASP324 |
| A | GLY325 |
| A | ILE326 |
| A | GLY327 |
| site_id | AC2 |
| Number of Residues | 24 |
| Details | binding site for residues AMP B 601 and F0O B 602 |
| Chain | Residue |
| B | TYR228 |
| B | ALA302 |
| B | GLY303 |
| B | GLU304 |
| B | ALA305 |
| B | ASP324 |
| B | GLY325 |
| B | ILE326 |
| B | GLY327 |
| B | SER328 |
| B | THR329 |
| B | ALA333 |
| B | ALA334 |
| B | ASP406 |
| B | ARG421 |
| B | LYS427 |
| B | TYR432 |
| B | HOH722 |
| B | HOH730 |
| B | HOH815 |
| B | HOH870 |
| B | HOH887 |
| B | HOH1044 |
| B | HOH1070 |
