6KSA
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C18CoA
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004466 | molecular_function | long-chain fatty acyl-CoA dehydrogenase activity |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006629 | biological_process | lipid metabolic process |
| 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 | 0005886 | cellular_component | plasma membrane |
| B | 0006629 | biological_process | lipid metabolic process |
| 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 | GLN455 |
| A | ST9702 |
| A | HOH947 |
| A | HOH950 |
| A | HOH963 |
| A | LEU164 |
| A | HOH1009 |
| A | HOH1025 |
| A | HOH1147 |
| B | ARG326 |
| B | GLN328 |
| B | ILE345 |
| B | HIS348 |
| B | GLN420 |
| B | THR421 |
| B | GLY423 |
| A | THR165 |
| B | GLY424 |
| B | HOH838 |
| B | HOH872 |
| B | HOH888 |
| A | GLY170 |
| A | SER171 |
| A | PHE196 |
| A | ILE197 |
| A | THR198 |
| A | ILE442 |
| site_id | AC2 |
| Number of Residues | 40 |
| Details | binding site for residue ST9 A 702 |
| Chain | Residue |
| A | GLN111 |
| A | TYR126 |
| A | MET130 |
| A | GLY133 |
| A | MET134 |
| A | MET162 |
| A | SER171 |
| A | VAL173 |
| A | THR224 |
| A | LYS225 |
| A | ILE290 |
| A | PHE294 |
| A | GLU298 |
| A | GLN299 |
| A | ARG301 |
| A | MET303 |
| A | TYR446 |
| A | ALA447 |
| A | GLY448 |
| A | ILE452 |
| A | ASP456 |
| A | ARG460 |
| A | LYS461 |
| A | ARG464 |
| A | FAD701 |
| A | HOH818 |
| A | HOH830 |
| A | HOH854 |
| A | HOH863 |
| A | HOH911 |
| A | HOH961 |
| A | HOH997 |
| A | HOH1005 |
| A | HOH1041 |
| A | HOH1064 |
| A | HOH1079 |
| A | HOH1083 |
| A | HOH1188 |
| A | HOH1197 |
| B | LYS338 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 703 |
| Chain | Residue |
| A | TYR371 |
| A | HIS385 |
| A | TYR472 |
| A | GLU476 |
| A | ARG550 |
| A | MG704 |
| A | HOH801 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue MG A 704 |
| Chain | Residue |
| A | HIS385 |
| A | TYR472 |
| A | GLU476 |
| A | SO4703 |
| A | HOH1158 |
| site_id | AC5 |
| Number of Residues | 30 |
| Details | binding site for residue FAD B 701 |
| Chain | Residue |
| B | GLY170 |
| B | SER171 |
| B | PHE196 |
| B | ILE197 |
| B | THR198 |
| B | ILE442 |
| B | LEU445 |
| B | TYR446 |
| B | ALA447 |
| B | THR449 |
| B | ST9702 |
| B | HOH952 |
| B | HOH958 |
| B | HOH962 |
| B | HOH987 |
| B | HOH1082 |
| A | ARG326 |
| A | GLN328 |
| A | ILE345 |
| A | HIS348 |
| A | GLN420 |
| A | THR421 |
| A | GLY423 |
| A | GLY424 |
| A | HOH866 |
| A | HOH890 |
| A | HOH917 |
| B | MET162 |
| B | LEU164 |
| B | THR165 |
| site_id | AC6 |
| Number of Residues | 40 |
| Details | binding site for residue ST9 B 702 |
| Chain | Residue |
| A | LYS338 |
| B | TYR126 |
| B | MET130 |
| B | MET134 |
| 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 | ILE452 |
| B | ASP456 |
| B | ARG460 |
| B | LYS461 |
| B | ARG464 |
| B | FAD701 |
| B | HOH820 |
| B | HOH823 |
| B | HOH831 |
| B | HOH840 |
| B | HOH846 |
| B | HOH851 |
| B | HOH874 |
| B | HOH896 |
| B | HOH906 |
| B | HOH968 |
| B | HOH998 |
| B | HOH1019 |
| B | HOH1197 |
| B | HOH1198 |
| B | HOH1219 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 B 703 |
| Chain | Residue |
| B | TYR371 |
| B | HIS385 |
| B | TYR472 |
| B | GLU476 |
| B | ARG550 |
| B | MG705 |
| B | HOH849 |
| B | HOH1214 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 B 704 |
| Chain | Residue |
| B | HIS72 |
| B | HIS274 |
| B | HOH803 |
| B | HOH810 |
| B | HOH884 |
| B | HOH1052 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 705 |
| Chain | Residue |
| B | HIS385 |
| B | TYR472 |
| B | GLU476 |
| B | SO4703 |
| B | HOH1072 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"32601219","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 34 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"32601219","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
