6LQ4
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C14CoA
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004466 | molecular_function | long-chain fatty acyl-CoA dehydrogenase activity |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016627 | molecular_function | oxidoreductase activity, acting on the CH-CH group of donors |
| A | 0016937 | molecular_function | short-chain fatty acyl-CoA dehydrogenase activity |
| A | 0070991 | molecular_function | medium-chain fatty acyl-CoA dehydrogenase activity |
| B | 0004466 | molecular_function | long-chain fatty acyl-CoA dehydrogenase activity |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016627 | molecular_function | oxidoreductase activity, acting on the CH-CH group of donors |
| B | 0016937 | molecular_function | short-chain fatty acyl-CoA dehydrogenase activity |
| B | 0070991 | molecular_function | medium-chain fatty acyl-CoA dehydrogenase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 30 |
| Details | binding site for residue FAD A 701 |
| Chain | Residue |
| A | MET162 |
| A | LEU445 |
| A | TYR446 |
| A | THR449 |
| A | ALA451 |
| A | MYR702 |
| A | COA703 |
| A | HOH822 |
| A | HOH842 |
| A | HOH857 |
| A | HOH927 |
| A | LEU164 |
| A | HOH930 |
| A | HOH997 |
| A | HOH1017 |
| B | ARG326 |
| B | GLN328 |
| B | HIS348 |
| B | GLN420 |
| B | THR421 |
| B | GLY423 |
| B | GLY424 |
| A | THR165 |
| B | HOH872 |
| A | GLY170 |
| A | SER171 |
| A | PHE196 |
| A | ILE197 |
| A | THR198 |
| A | ILE442 |
| site_id | AC2 |
| Number of Residues | 33 |
| Details | binding site for residue FAD B 701 |
| Chain | Residue |
| A | ARG326 |
| A | GLN328 |
| A | ILE345 |
| A | HIS348 |
| A | VAL351 |
| A | GLN420 |
| A | THR421 |
| A | GLY423 |
| A | GLY424 |
| A | HOH817 |
| A | HOH843 |
| B | MET162 |
| B | LEU164 |
| B | THR165 |
| B | GLY170 |
| B | SER171 |
| B | ARG195 |
| B | PHE196 |
| B | ILE197 |
| B | THR198 |
| B | LYS258 |
| B | THR266 |
| B | ILE442 |
| B | LEU445 |
| B | TYR446 |
| B | ALA447 |
| B | THR449 |
| B | MYR702 |
| B | COA703 |
| B | HOH848 |
| B | HOH883 |
| B | HOH960 |
| B | HOH995 |
| site_id | AC3 |
| Number of Residues | 34 |
| Details | binding site for residues MYR A 702 and COA A 703 |
| Chain | Residue |
| A | MET130 |
| A | MET134 |
| A | ALA160 |
| A | MET162 |
| A | SER171 |
| A | VAL173 |
| A | THR198 |
| A | THR224 |
| A | LYS225 |
| A | ILE290 |
| A | ALA291 |
| A | PHE294 |
| A | VAL296 |
| A | GLU298 |
| A | GLN299 |
| A | ARG301 |
| A | MET303 |
| A | TYR446 |
| A | ALA447 |
| A | GLY448 |
| A | ASP456 |
| A | ARG460 |
| A | LYS461 |
| A | ARG464 |
| A | FAD701 |
| A | HOH805 |
| A | HOH830 |
| A | HOH835 |
| A | HOH946 |
| A | HOH971 |
| A | HOH972 |
| A | HOH1006 |
| A | HOH1021 |
| B | LYS338 |
| site_id | AC4 |
| Number of Residues | 32 |
| Details | binding site for residues MYR B 702 and COA B 703 |
| Chain | Residue |
| B | ALA160 |
| B | MET162 |
| B | SER171 |
| B | VAL173 |
| B | THR224 |
| B | LYS225 |
| B | ILE290 |
| B | PHE294 |
| B | GLU298 |
| B | GLN299 |
| B | ARG301 |
| B | MET303 |
| B | TYR446 |
| B | ALA447 |
| B | GLY448 |
| B | ASP456 |
| B | ARG460 |
| B | LYS461 |
| B | ARG464 |
| B | FAD701 |
| B | HOH803 |
| B | HOH816 |
| B | HOH820 |
| B | HOH852 |
| B | HOH853 |
| B | HOH865 |
| B | HOH922 |
| B | HOH945 |
| B | HOH964 |
| B | HOH1037 |
| A | LYS338 |
| B | MET134 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:32601219 |
| Chain | Residue | Details |
| A | ALA447 | |
| B | ALA447 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:32601219 |
| Chain | Residue | Details |
| A | MET162 | |
| A | THR449 | |
| A | ASP456 | |
| A | ARG460 | |
| B | MET162 | |
| B | SER171 | |
| B | THR198 | |
| B | THR224 | |
| B | ARG301 | |
| B | ARG326 | |
| B | LYS338 | |
| A | SER171 | |
| B | GLN420 | |
| B | ALA447 | |
| B | THR449 | |
| B | ASP456 | |
| B | ARG460 | |
| A | THR198 | |
| A | THR224 | |
| A | ARG301 | |
| A | ARG326 | |
| A | LYS338 | |
| A | GLN420 | |
| A | ALA447 |
