4J1N
Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NAD A 301 |
| Chain | Residue |
| A | GLY13 |
| A | SER90 |
| A | ILE91 |
| A | ALA92 |
| A | LEU144 |
| A | THR145 |
| A | TYR146 |
| A | LYS163 |
| A | ALA189 |
| A | PRO191 |
| A | ILE192 |
| A | LEU14 |
| A | THR194 |
| A | LEU195 |
| A | ALA196 |
| A | ALA197 |
| A | PHE203 |
| A | 1JN302 |
| A | HOH406 |
| A | HOH410 |
| A | HOH416 |
| A | LEU15 |
| A | SER19 |
| A | ILE20 |
| A | VAL40 |
| A | CYS62 |
| A | ASP63 |
| A | VAL64 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE 1JN A 302 |
| Chain | Residue |
| A | TYR146 |
| A | MET153 |
| A | PRO154 |
| A | TYR156 |
| A | MET159 |
| A | ALA196 |
| A | PHE203 |
| A | MET206 |
| A | NAD301 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 303 |
| Chain | Residue |
| A | GLU150 |
| A | ALA164 |
| A | GLU167 |
| A | ARG171 |
| site_id | AC4 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE NAD B 301 |
| Chain | Residue |
| B | GLY13 |
| B | LEU15 |
| B | SER19 |
| B | ILE20 |
| B | VAL40 |
| B | CYS62 |
| B | ASP63 |
| B | VAL64 |
| B | SER90 |
| B | ILE91 |
| B | ALA92 |
| B | LEU144 |
| B | THR145 |
| B | TYR146 |
| B | LYS163 |
| B | ALA189 |
| B | PRO191 |
| B | ILE192 |
| B | THR194 |
| B | ALA196 |
| B | 1JN302 |
| B | HOH401 |
| B | HOH420 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE 1JN B 302 |
| Chain | Residue |
| B | TYR146 |
| B | TYR156 |
| B | MET159 |
| B | ALA196 |
| B | ILE200 |
| B | PHE203 |
| B | MET206 |
| B | NAD301 |
