2FOI
Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| C | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| C | 0006633 | biological_process | fatty acid biosynthetic process |
| D | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| D | 0006633 | biological_process | fatty acid biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NAD A 450 |
| Chain | Residue |
| A | HOH24 |
| A | ALA169 |
| A | SER170 |
| A | SER215 |
| A | LEU216 |
| A | ALA217 |
| A | ASN218 |
| A | LYS240 |
| A | LEU265 |
| A | THR266 |
| A | LYS285 |
| A | HOH28 |
| A | ALA312 |
| A | GLY313 |
| A | PRO314 |
| A | LEU315 |
| A | SER317 |
| A | ALA319 |
| A | JPA500 |
| A | ILE105 |
| A | GLY106 |
| A | GLY110 |
| A | TYR111 |
| A | TRP131 |
| A | PHE167 |
| A | ASP168 |
| site_id | AC2 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD B 451 |
| Chain | Residue |
| B | GLY104 |
| B | ILE105 |
| B | GLY106 |
| B | GLY110 |
| B | TYR111 |
| B | TRP131 |
| B | PHE167 |
| B | ASP168 |
| B | ALA169 |
| B | SER170 |
| B | SER215 |
| B | LEU216 |
| B | ALA217 |
| B | ASN218 |
| B | LEU265 |
| B | THR266 |
| B | TYR267 |
| B | LYS285 |
| B | ALA312 |
| B | GLY313 |
| B | PRO314 |
| B | LEU315 |
| B | SER317 |
| B | ALA319 |
| B | JPA501 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE JPA A 500 |
| Chain | Residue |
| A | ALA217 |
| A | ALA219 |
| A | VAL222 |
| A | TYR267 |
| A | TYR277 |
| A | PRO314 |
| A | ALA319 |
| A | ALA320 |
| A | ILE323 |
| A | NAD450 |
| C | PHE368 |
| C | ILE369 |
| C | ALA372 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE JPA B 501 |
| Chain | Residue |
| B | ALA217 |
| B | ALA219 |
| B | TYR267 |
| B | TYR277 |
| B | PRO314 |
| B | ALA319 |
| B | NAD451 |
| D | PHE368 |
| D | ALA372 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| A | TYR277 | |
| A | LYS285 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| B | TYR277 | |
| B | LYS285 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| A | MET281 | |
| A | LYS285 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1qsg |
| Chain | Residue | Details |
| B | MET281 | |
| B | LYS285 |
