6LQ5
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C16CoA
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 | 32 |
Details | binding site for residue FAD A 701 |
Chain | Residue |
A | MET162 |
A | LEU445 |
A | TYR446 |
A | ALA447 |
A | THR449 |
A | PLM702 |
A | COA703 |
A | HOH881 |
A | HOH977 |
A | HOH996 |
A | HOH1040 |
A | LEU164 |
A | HOH1045 |
A | HOH1075 |
A | HOH1081 |
B | ARG326 |
B | GLN328 |
B | ILE345 |
B | HIS348 |
B | GLN420 |
B | THR421 |
B | GLY423 |
A | THR165 |
B | GLY424 |
B | HOH841 |
B | HOH878 |
A | GLY170 |
A | SER171 |
A | PHE196 |
A | THR198 |
A | THR266 |
A | ILE442 |
site_id | AC2 |
Number of Residues | 30 |
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 | HOH844 |
A | HOH865 |
A | HOH985 |
B | MET162 |
B | LEU164 |
B | THR165 |
B | GLY170 |
B | SER171 |
B | PHE196 |
B | THR198 |
B | ILE442 |
B | LEU445 |
B | TYR446 |
B | ALA447 |
B | THR449 |
B | PLM702 |
B | COA703 |
B | HOH927 |
B | HOH935 |
B | HOH969 |
B | HOH1040 |
B | HOH1164 |
site_id | AC3 |
Number of Residues | 37 |
Details | binding site for residues PLM A 702 and COA A 703 |
Chain | Residue |
A | MET130 |
A | GLY133 |
A | MET134 |
A | ALA160 |
A | MET162 |
A | SER171 |
A | VAL173 |
A | THR224 |
A | LYS225 |
A | ILE290 |
A | PHE294 |
A | GLU298 |
A | ARG301 |
A | MET303 |
A | TYR446 |
A | ALA447 |
A | GLY448 |
A | ILE452 |
A | ASP456 |
A | ARG460 |
A | LYS461 |
A | ARG464 |
A | FAD701 |
A | HOH821 |
A | HOH862 |
A | HOH915 |
A | HOH932 |
A | HOH987 |
A | HOH1011 |
A | HOH1025 |
A | HOH1026 |
A | HOH1105 |
A | HOH1115 |
A | HOH1125 |
A | HOH1156 |
A | HOH1158 |
B | LYS338 |
site_id | AC4 |
Number of Residues | 38 |
Details | binding site for residues PLM B 702 and COA B 703 |
Chain | Residue |
A | LYS338 |
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 | HOH834 |
B | HOH861 |
B | HOH866 |
B | HOH870 |
B | HOH880 |
B | HOH902 |
B | HOH908 |
B | HOH929 |
B | HOH959 |
B | HOH1022 |
B | HOH1073 |
B | HOH1128 |
B | HOH1131 |
B | HOH1187 |
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 |