3BJK
Crystal structure of HI0827, a hexameric broad specificity acyl-coenzyme A thioesterase: The Asp44Ala mutant enzyme
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006637 | biological_process | acyl-CoA metabolic process |
| A | 0009062 | biological_process | fatty acid catabolic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016790 | molecular_function | thiolester hydrolase activity |
| A | 0052816 | molecular_function | long-chain fatty acyl-CoA hydrolase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006637 | biological_process | acyl-CoA metabolic process |
| B | 0009062 | biological_process | fatty acid catabolic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016790 | molecular_function | thiolester hydrolase activity |
| B | 0052816 | molecular_function | long-chain fatty acyl-CoA hydrolase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0006637 | biological_process | acyl-CoA metabolic process |
| C | 0009062 | biological_process | fatty acid catabolic process |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0016790 | molecular_function | thiolester hydrolase activity |
| C | 0052816 | molecular_function | long-chain fatty acyl-CoA hydrolase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0006637 | biological_process | acyl-CoA metabolic process |
| D | 0009062 | biological_process | fatty acid catabolic process |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0016790 | molecular_function | thiolester hydrolase activity |
| D | 0052816 | molecular_function | long-chain fatty acyl-CoA hydrolase activity |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0005829 | cellular_component | cytosol |
| E | 0006637 | biological_process | acyl-CoA metabolic process |
| E | 0009062 | biological_process | fatty acid catabolic process |
| E | 0016787 | molecular_function | hydrolase activity |
| E | 0016790 | molecular_function | thiolester hydrolase activity |
| E | 0052816 | molecular_function | long-chain fatty acyl-CoA hydrolase activity |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0005829 | cellular_component | cytosol |
| F | 0006637 | biological_process | acyl-CoA metabolic process |
| F | 0009062 | biological_process | fatty acid catabolic process |
| F | 0016787 | molecular_function | hydrolase activity |
| F | 0016790 | molecular_function | thiolester hydrolase activity |
| F | 0052816 | molecular_function | long-chain fatty acyl-CoA hydrolase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE CIT A 1 |
| Chain | Residue |
| A | LYS52 |
| B | ASN29 |
| B | ALA30 |
| B | ASN31 |
| D | HOH221 |
| A | THR61 |
| A | HOH172 |
| A | HOH173 |
| A | HOH197 |
| A | HOH201 |
| A | HOH206 |
| A | HOH222 |
| A | HOH239 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CIT D 155 |
| Chain | Residue |
| D | GLY89 |
| D | ARG90 |
| D | SER91 |
| D | SER92 |
| D | HOH285 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CIT A 155 |
| Chain | Residue |
| A | LYS87 |
| A | GLY89 |
| A | ARG90 |
| A | SER91 |
| A | SER92 |
| A | HOH220 |
| A | HOH241 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO D 156 |
| Chain | Residue |
| A | ARG20 |
| D | LEU17 |
| D | ILE49 |
| D | GLU53 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 156 |
| Chain | Residue |
| A | LEU17 |
| A | GLU53 |
| D | ARG20 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 155 |
| Chain | Residue |
| B | LEU17 |
| B | GLU53 |
| E | ARG20 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO D 157 |
| Chain | Residue |
| D | HIS56 |
| D | GLU137 |
| D | ASN138 |
| D | HOH275 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO E 155 |
| Chain | Residue |
| B | ARG20 |
| E | LEU17 |
| E | ILE49 |
| E | GLU53 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 157 |
| Chain | Residue |
| A | ARG20 |
| A | CYS80 |
| A | LYS102 |
| A | ARG112 |
| A | HOH233 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO D 158 |
| Chain | Residue |
| D | ARG136 |
| D | ASN138 |
| D | ASN139 |
| D | HOH241 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 155 |
| Chain | Residue |
| C | LEU17 |
| C | LEU18 |
| C | GLU53 |
| F | ARG20 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO D 159 |
| Chain | Residue |
| D | GLN84 |
| D | CYS85 |
| D | LYS144 |
| D | ALA145 |
| D | LEU148 |
| D | HOH212 |
| D | HOH224 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 159 |
| Chain | Residue |
| A | ARG136 |
| A | GLU137 |
| A | ASN138 |
| A | ASN139 |
| A | LEU142 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO F 155 |
| Chain | Residue |
| C | ARG20 |
| C | LYS102 |
| F | LEU17 |
| F | ILE49 |
| F | GLU53 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 156 |
| Chain | Residue |
| A | TRP38 |
| A | SER41 |
| B | GLY37 |
| B | TRP38 |
| B | SER41 |
| B | HOH225 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO E 156 |
| Chain | Residue |
| E | LEU50 |
| E | GLN84 |
| E | CYS85 |
| E | ALA145 |
| E | HOH168 |
| E | HOH169 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO C 156 |
| Chain | Residue |
| C | GLN84 |
| C | CYS85 |
| C | ALA145 |
| C | LEU148 |
| C | HOH192 |
| C | HOH208 |
| site_id | BC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 160 |
| Chain | Residue |
| A | HIS56 |
| A | GLU137 |
| A | ASN138 |
| site_id | CC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO D 160 |
| Chain | Residue |
| D | LYS71 |
| D | TRP100 |
| D | TYR113 |
| D | CYS114 |
| site_id | CC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D 161 |
| Chain | Residue |
| D | TYR82 |
| D | GLN84 |
| D | LYS96 |
| D | GLU98 |
| D | LYS14 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO E 157 |
| Chain | Residue |
| E | TRP38 |
| E | SER41 |
| E | HOH205 |
| F | TRP38 |
| F | SER41 |
| F | HOH176 |
| site_id | CC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 161 |
| Chain | Residue |
| A | THR61 |
| A | HOH165 |
| A | HOH225 |
| site_id | CC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 157 |
| Chain | Residue |
| B | GLN84 |
| B | CYS85 |
| B | ALA145 |
| B | LEU148 |
| B | HOH183 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO E 158 |
| Chain | Residue |
| B | LEU22 |
| E | LYS52 |
| E | HOH213 |
| F | ASN29 |
| F | ALA30 |
| site_id | CC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO D 162 |
| Chain | Residue |
| C | TRP38 |
| C | SER41 |
| D | GLY37 |
| D | TRP38 |
| D | SER41 |
| D | HOH232 |
| site_id | CC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 158 |
| Chain | Residue |
| B | GLN84 |
| B | CYS85 |
| B | LEU86 |
| B | ILE149 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 575 |
| Details | Domain: {"description":"HotDog ACOT-type","evidences":[{"source":"PROSITE-ProRule","id":"PRU01106","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
