6KSE
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria tuberculosisin complex with C18CoA
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004466 | molecular_function | long-chain fatty acyl-CoA dehydrogenase activity |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005886 | cellular_component | plasma membrane |
| 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 | 0052572 | biological_process | response to host immune response |
| A | 0070991 | molecular_function | medium-chain fatty acyl-CoA dehydrogenase activity |
| B | 0004466 | molecular_function | long-chain fatty acyl-CoA dehydrogenase activity |
| B | 0005576 | cellular_component | extracellular region |
| B | 0005886 | cellular_component | plasma membrane |
| 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 | 0052572 | biological_process | response to host immune response |
| B | 0070991 | molecular_function | medium-chain fatty acyl-CoA dehydrogenase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 28 |
| Details | binding site for residue FAD A 701 |
| Chain | Residue |
| A | MET162 |
| A | THR449 |
| A | ALA451 |
| A | ST9702 |
| A | HOH873 |
| A | HOH875 |
| A | HOH879 |
| A | HOH965 |
| A | HOH1006 |
| A | HOH1018 |
| B | ARG326 |
| A | LEU164 |
| B | GLN328 |
| B | ILE345 |
| B | HIS348 |
| B | VAL351 |
| B | GLN420 |
| B | THR421 |
| B | GLY423 |
| B | GLY424 |
| B | HOH816 |
| A | THR165 |
| A | GLY170 |
| A | SER171 |
| A | PHE196 |
| A | THR198 |
| A | ILE442 |
| A | ALA447 |
| site_id | AC2 |
| Number of Residues | 41 |
| Details | binding site for residue ST9 A 702 |
| Chain | Residue |
| A | ASP93 |
| A | VAL95 |
| A | HIS115 |
| A | TRP126 |
| A | GLY130 |
| A | GLY133 |
| A | PHE134 |
| A | MET162 |
| A | SER171 |
| A | VAL173 |
| A | THR224 |
| A | LYS225 |
| A | ILE290 |
| A | PHE294 |
| A | GLU298 |
| A | ALA300 |
| A | ARG301 |
| A | MET303 |
| A | TYR446 |
| A | ALA447 |
| A | GLY448 |
| A | ILE452 |
| A | ASP456 |
| A | ARG460 |
| A | LYS461 |
| A | ARG464 |
| A | FAD701 |
| A | HOH833 |
| A | HOH863 |
| A | HOH870 |
| A | HOH896 |
| A | HOH966 |
| A | HOH983 |
| A | HOH1008 |
| A | HOH1014 |
| A | HOH1028 |
| A | HOH1036 |
| A | HOH1042 |
| A | HOH1047 |
| A | HOH1151 |
| B | LYS338 |
| site_id | AC3 |
| Number of Residues | 26 |
| 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 | HOH832 |
| A | HOH860 |
| A | HOH861 |
| B | MET162 |
| B | LEU164 |
| B | THR165 |
| B | GLY170 |
| B | SER171 |
| B | PHE196 |
| B | THR198 |
| B | THR266 |
| B | ILE442 |
| B | THR449 |
| B | ALA451 |
| B | ST9702 |
| B | HOH902 |
| B | HOH957 |
| B | HOH1056 |
| site_id | AC4 |
| Number of Residues | 36 |
| Details | binding site for residue ST9 B 702 |
| Chain | Residue |
| B | GLY133 |
| B | PHE134 |
| B | GLN136 |
| B | MET162 |
| B | SER171 |
| B | VAL173 |
| B | THR224 |
| B | LYS225 |
| B | ILE290 |
| B | PHE294 |
| B | GLU298 |
| B | GLN299 |
| B | ARG301 |
| B | TYR446 |
| B | ALA447 |
| B | GLY448 |
| B | ILE452 |
| B | ASP456 |
| B | ARG460 |
| B | LYS461 |
| B | ARG464 |
| B | FAD701 |
| B | HOH841 |
| B | HOH843 |
| B | HOH866 |
| B | HOH871 |
| B | HOH926 |
| B | HOH932 |
| B | HOH948 |
| B | HOH996 |
| B | HOH1058 |
| B | HOH1087 |
| A | LYS338 |
| B | GLY96 |
| B | ILE97 |
| B | LYS108 |
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 |
