6LQ8
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C22CoA
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 | 33 |
| Details | binding site for residue FAD A 701 |
| Chain | Residue |
| A | MET162 |
| A | LEU445 |
| A | TYR446 |
| A | ALA447 |
| A | THR449 |
| A | ALA451 |
| A | EO3702 |
| A | COA703 |
| A | HOH874 |
| A | HOH973 |
| A | HOH987 |
| A | LEU164 |
| A | HOH988 |
| A | HOH990 |
| A | HOH1049 |
| B | ARG326 |
| B | GLN328 |
| B | ILE345 |
| B | HIS348 |
| B | GLN420 |
| B | THR421 |
| B | GLY423 |
| A | THR165 |
| B | GLY424 |
| B | HOH850 |
| B | HOH897 |
| B | HOH919 |
| A | GLY170 |
| A | SER171 |
| A | PHE196 |
| A | ILE197 |
| A | THR198 |
| A | ILE442 |
| site_id | AC2 |
| Number of Residues | 32 |
| Details | binding site for residue FAD B 701 |
| Chain | Residue |
| A | ARG326 |
| A | GLN328 |
| A | ILE345 |
| A | HIS348 |
| A | GLN420 |
| A | THR421 |
| A | GLY423 |
| A | GLY424 |
| A | HOH836 |
| A | HOH857 |
| A | HOH1023 |
| B | MET162 |
| B | LEU164 |
| B | THR165 |
| B | GLY170 |
| B | SER171 |
| B | PHE196 |
| B | ILE197 |
| B | THR198 |
| B | ILE442 |
| B | LEU445 |
| B | TYR446 |
| B | ALA447 |
| B | THR449 |
| B | ALA451 |
| B | EO3702 |
| B | COA703 |
| B | HOH996 |
| B | HOH1050 |
| B | HOH1068 |
| B | HOH1080 |
| B | HOH1196 |
| site_id | AC3 |
| Number of Residues | 42 |
| Details | binding site for residues EO3 A 702 and COA A 703 |
| Chain | Residue |
| A | HOH963 |
| A | HOH975 |
| A | HOH1054 |
| A | HOH1063 |
| A | HOH1070 |
| A | HOH1080 |
| A | HOH1203 |
| B | LYS338 |
| A | VAL95 |
| A | GLY96 |
| A | LEU97 |
| A | GLN111 |
| A | MET130 |
| A | GLY133 |
| A | MET134 |
| A | GLU136 |
| A | ILE137 |
| A | MET162 |
| A | SER171 |
| A | VAL173 |
| A | THR198 |
| A | THR224 |
| A | LYS225 |
| A | ILE290 |
| A | PHE294 |
| A | GLU298 |
| A | GLN299 |
| A | ALA300 |
| A | ARG301 |
| A | TYR446 |
| A | ALA447 |
| A | GLY448 |
| A | ASP456 |
| A | ARG460 |
| A | LYS461 |
| A | ARG464 |
| A | FAD701 |
| A | HOH834 |
| A | HOH848 |
| A | HOH886 |
| A | HOH904 |
| A | HOH910 |
| site_id | AC4 |
| Number of Residues | 43 |
| Details | binding site for residues EO3 B 702 and COA B 703 |
| Chain | Residue |
| A | LYS338 |
| A | HOH1176 |
| B | ARG108 |
| B | GLN111 |
| B | TRP112 |
| B | MET130 |
| B | GLY133 |
| B | MET134 |
| B | ALA160 |
| B | MET162 |
| B | SER171 |
| B | VAL173 |
| B | THR198 |
| B | THR224 |
| B | LYS225 |
| B | ILE290 |
| B | PHE294 |
| B | GLU298 |
| B | GLN299 |
| B | ARG301 |
| B | GLN376 |
| B | TYR446 |
| B | ALA447 |
| B | GLY448 |
| B | ILE452 |
| B | ASP456 |
| B | ARG460 |
| B | LYS461 |
| B | FAD701 |
| B | HOH824 |
| B | HOH849 |
| B | HOH876 |
| B | HOH916 |
| B | HOH920 |
| B | HOH923 |
| B | HOH981 |
| B | HOH1008 |
| B | HOH1027 |
| B | HOH1059 |
| B | HOH1112 |
| B | HOH1139 |
| B | HOH1236 |
| B | HOH1266 |
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 |
