2QIO
X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with Triclosan
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| C | 0006629 | biological_process | lipid metabolic process |
| C | 0006631 | biological_process | fatty acid metabolic process |
| C | 0006633 | biological_process | fatty acid biosynthetic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| D | 0006629 | biological_process | lipid metabolic process |
| D | 0006631 | biological_process | fatty acid metabolic process |
| D | 0006633 | biological_process | fatty acid biosynthetic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD A 501 |
| Chain | Residue |
| A | GLY13 |
| A | ILE94 |
| A | ALA95 |
| A | ILE120 |
| A | LEU145 |
| A | THR146 |
| A | TYR147 |
| A | LYS164 |
| A | ALA190 |
| A | PRO192 |
| A | ILE193 |
| A | ALA15 |
| A | THR195 |
| A | LEU196 |
| A | SER197 |
| A | HOH607 |
| A | HOH608 |
| A | HOH613 |
| A | HOH622 |
| A | HOH627 |
| A | SER19 |
| A | ILE20 |
| A | ALA40 |
| A | LEU44 |
| A | CYS65 |
| A | ASP66 |
| A | CYS93 |
| site_id | AC2 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NAD B 502 |
| Chain | Residue |
| B | GLY13 |
| B | ALA15 |
| B | SER19 |
| B | ILE20 |
| B | ALA40 |
| B | LEU44 |
| B | CYS65 |
| B | ASP66 |
| B | CYS93 |
| B | ILE94 |
| B | ALA95 |
| B | LEU145 |
| B | THR146 |
| B | TYR147 |
| B | LYS164 |
| B | ALA190 |
| B | GLY191 |
| B | PRO192 |
| B | ILE193 |
| B | THR195 |
| B | LEU196 |
| B | SER197 |
| B | HOH605 |
| B | HOH611 |
| B | HOH614 |
| B | HOH634 |
| site_id | AC3 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NAD C 503 |
| Chain | Residue |
| C | GLY13 |
| C | ALA15 |
| C | SER19 |
| C | ILE20 |
| C | ALA40 |
| C | LEU44 |
| C | CYS65 |
| C | ASP66 |
| C | CYS93 |
| C | ILE94 |
| C | ALA95 |
| C | LEU145 |
| C | THR146 |
| C | TYR147 |
| C | LYS164 |
| C | ALA190 |
| C | GLY191 |
| C | PRO192 |
| C | ILE193 |
| C | THR195 |
| C | SER197 |
| C | HOH611 |
| C | HOH613 |
| C | HOH616 |
| C | HOH624 |
| C | HOH629 |
| site_id | AC4 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD D 504 |
| Chain | Residue |
| D | HOH614 |
| D | HOH618 |
| D | HOH638 |
| D | HOH640 |
| D | HOH655 |
| D | HOH664 |
| D | HOH677 |
| D | GLY13 |
| D | ALA15 |
| D | SER19 |
| D | ILE20 |
| D | LEU44 |
| D | CYS65 |
| D | ASP66 |
| D | CYS93 |
| D | ILE94 |
| D | ALA95 |
| D | LEU145 |
| D | THR146 |
| D | TYR147 |
| D | LYS164 |
| D | ALA190 |
| D | GLY191 |
| D | PRO192 |
| D | ILE193 |
| D | THR195 |
| D | SER197 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE TCL A 601 |
| Chain | Residue |
| A | ALA95 |
| A | ALA97 |
| A | LEU102 |
| A | TYR147 |
| A | TYR157 |
| A | SER197 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE TCL B 602 |
| Chain | Residue |
| B | ALA95 |
| B | ALA97 |
| B | LEU102 |
| B | TYR147 |
| B | TYR157 |
| B | MET160 |
| B | SER197 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE TCL C 603 |
| Chain | Residue |
| C | ALA95 |
| C | ALA97 |
| C | TYR147 |
| C | TYR157 |
| C | SER197 |
| C | ALA198 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE TCL D 604 |
| Chain | Residue |
| D | ALA95 |
| D | ALA97 |
| D | TYR147 |
| D | TYR157 |
| D | SER197 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| A | LYS164 | |
| A | TYR157 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| B | LYS164 | |
| B | TYR157 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| C | LYS164 | |
| C | TYR157 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| D | LYS164 | |
| D | TYR157 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| A | LYS164 | |
| A | MET160 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| B | LYS164 | |
| B | MET160 |
| site_id | CSA7 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| C | LYS164 | |
| C | MET160 |
| site_id | CSA8 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| D | LYS164 | |
| D | MET160 |
