4NR0
Crystal structure of the Pseudomonas aeruginosa Enoyl-Acyl Carrier Protein Reductase (FabI) in complex with NAD+ and triclosan
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| 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 |
| A | 0030497 | biological_process | fatty acid elongation |
| A | 0042802 | molecular_function | identical protein 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 |
| B | 0030497 | biological_process | fatty acid elongation |
| B | 0042802 | molecular_function | identical protein 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 |
| C | 0030497 | biological_process | fatty acid elongation |
| C | 0042802 | molecular_function | identical protein 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 |
| D | 0030497 | biological_process | fatty acid elongation |
| D | 0042802 | molecular_function | identical protein binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE NAD A 301 |
| Chain | Residue |
| A | GLY13 |
| A | VAL67 |
| A | SER93 |
| A | VAL94 |
| A | GLY95 |
| A | ILE121 |
| A | LEU147 |
| A | SER148 |
| A | LYS166 |
| A | ALA192 |
| A | GLY193 |
| A | VAL14 |
| A | PRO194 |
| A | ILE195 |
| A | THR197 |
| A | LEU198 |
| A | ALA199 |
| A | TCL302 |
| A | HOH401 |
| A | HOH420 |
| A | HOH432 |
| A | HOH433 |
| A | ALA15 |
| A | HOH438 |
| A | HOH442 |
| A | HOH529 |
| A | SER19 |
| A | ILE20 |
| A | GLN40 |
| A | LEU44 |
| A | CYS65 |
| A | ASP66 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE TCL A 302 |
| Chain | Residue |
| A | GLY95 |
| A | ALA97 |
| A | LEU102 |
| A | TYR149 |
| A | TYR159 |
| A | ALA199 |
| A | NAD301 |
| site_id | AC3 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NAD B 301 |
| Chain | Residue |
| B | GLY13 |
| B | VAL14 |
| B | ALA15 |
| B | SER19 |
| B | ILE20 |
| B | GLN40 |
| B | LEU44 |
| B | CYS65 |
| B | ASP66 |
| B | VAL67 |
| B | SER93 |
| B | VAL94 |
| B | GLY95 |
| B | ILE121 |
| B | LEU147 |
| B | SER148 |
| B | TYR149 |
| B | LYS166 |
| B | ALA192 |
| B | GLY193 |
| B | PRO194 |
| B | ILE195 |
| B | THR197 |
| B | LEU198 |
| B | ALA199 |
| B | TCL302 |
| B | HOH401 |
| B | HOH416 |
| B | HOH438 |
| B | HOH449 |
| B | HOH450 |
| B | HOH451 |
| B | HOH522 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE TCL B 302 |
| Chain | Residue |
| B | GLY95 |
| B | ALA97 |
| B | TYR149 |
| B | TYR159 |
| B | ALA199 |
| B | NAD301 |
| site_id | AC5 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE NAD C 301 |
| Chain | Residue |
| C | ILE195 |
| C | THR197 |
| C | LEU198 |
| C | ALA199 |
| C | TCL302 |
| C | HOH410 |
| C | HOH426 |
| C | HOH433 |
| C | HOH450 |
| C | HOH452 |
| C | HOH467 |
| C | GLY13 |
| C | VAL14 |
| C | ALA15 |
| C | SER19 |
| C | ILE20 |
| C | GLN40 |
| C | LEU44 |
| C | CYS65 |
| C | ASP66 |
| C | VAL67 |
| C | SER93 |
| C | VAL94 |
| C | GLY95 |
| C | ILE121 |
| C | LEU147 |
| C | SER148 |
| C | TYR149 |
| C | LYS166 |
| C | ALA192 |
| C | GLY193 |
| C | PRO194 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE TCL C 302 |
| Chain | Residue |
| C | GLY95 |
| C | ALA97 |
| C | LEU102 |
| C | TYR149 |
| C | TYR159 |
| C | ALA199 |
| C | MET209 |
| C | NAD301 |
| site_id | AC7 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE NAD D 301 |
| Chain | Residue |
| D | GLY13 |
| D | VAL14 |
| D | ALA15 |
| D | SER19 |
| D | ILE20 |
| D | GLN40 |
| D | LEU44 |
| D | CYS65 |
| D | ASP66 |
| D | VAL67 |
| D | SER93 |
| D | VAL94 |
| D | GLY95 |
| D | ILE121 |
| D | LEU147 |
| D | SER148 |
| D | LYS166 |
| D | ALA192 |
| D | GLY193 |
| D | PRO194 |
| D | ILE195 |
| D | THR197 |
| D | LEU198 |
| D | ALA199 |
| D | TCL302 |
| D | HOH419 |
| D | HOH420 |
| D | HOH421 |
| D | HOH423 |
| D | HOH448 |
| D | HOH453 |
| D | HOH551 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE TCL D 302 |
| Chain | Residue |
| D | GLY95 |
| D | ALA97 |
| D | LEU102 |
| D | TYR149 |
| D | TYR159 |
| D | ALA199 |
| D | ALA200 |
| D | NAD301 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 44 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | Site: {"description":"Involved in acyl-ACP binding","evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
