2CYE
Crystal structure of Thioesterase complexed with coenzyme A and Zn from Thermus thermophilus HB8
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016790 | molecular_function | thiolester hydrolase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0047617 | molecular_function | fatty acyl-CoA hydrolase activity |
| B | 0016790 | molecular_function | thiolester hydrolase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0047617 | molecular_function | fatty acyl-CoA hydrolase activity |
| C | 0016790 | molecular_function | thiolester hydrolase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0047617 | molecular_function | fatty acyl-CoA hydrolase activity |
| D | 0016790 | molecular_function | thiolester hydrolase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0047617 | molecular_function | fatty acyl-CoA hydrolase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 1001 |
| Chain | Residue |
| A | ASP18 |
| A | HIS22 |
| C | GLU50 |
| C | COA602 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 1002 |
| Chain | Residue |
| B | ASP18 |
| B | HIS22 |
| B | COA601 |
| D | GLU50 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 1003 |
| Chain | Residue |
| C | ASP18 |
| C | HIS22 |
| C | COA603 |
| A | GLU50 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN D 1004 |
| Chain | Residue |
| B | GLU50 |
| B | COA604 |
| D | ASP18 |
| D | HIS22 |
| site_id | AC5 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE COA B 601 |
| Chain | Residue |
| B | HIS22 |
| B | VAL23 |
| B | ASP61 |
| B | TYR62 |
| B | LEU63 |
| B | ARG64 |
| B | PRO65 |
| B | ZN1002 |
| B | HOH1006 |
| B | HOH1016 |
| B | HOH1034 |
| B | HOH1041 |
| B | HOH1073 |
| D | GLU50 |
| D | VAL55 |
| D | ALA56 |
| D | ARG57 |
| D | GLY82 |
| D | ARG83 |
| D | SER84 |
| D | SER85 |
| D | PRO114 |
| D | HOH1042 |
| site_id | AC6 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE COA C 602 |
| Chain | Residue |
| A | HIS22 |
| A | VAL23 |
| A | ASP61 |
| A | TYR62 |
| A | LEU63 |
| A | ARG64 |
| A | PRO65 |
| A | ZN1001 |
| A | HOH1006 |
| A | HOH1012 |
| A | HOH1023 |
| C | GLU50 |
| C | VAL55 |
| C | ALA56 |
| C | ARG57 |
| C | GLY82 |
| C | ARG83 |
| C | SER84 |
| C | SER85 |
| C | PRO114 |
| C | COA603 |
| C | HOH1040 |
| C | HOH1050 |
| C | HOH1051 |
| C | HOH1064 |
| C | HOH1081 |
| site_id | AC7 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE COA C 603 |
| Chain | Residue |
| A | GLU50 |
| A | VAL55 |
| A | ALA56 |
| A | ARG57 |
| A | GLY82 |
| A | ARG83 |
| A | SER84 |
| A | SER85 |
| A | PRO114 |
| C | ASP18 |
| C | HIS22 |
| C | VAL23 |
| C | ASP61 |
| C | TYR62 |
| C | LEU63 |
| C | ARG64 |
| C | PRO65 |
| C | ARG83 |
| C | COA602 |
| C | ZN1003 |
| C | HOH1007 |
| C | HOH1010 |
| C | HOH1014 |
| C | HOH1040 |
| C | HOH1045 |
| C | HOH1062 |
| C | HOH1064 |
| C | HOH1065 |
| C | HOH1074 |
| C | HOH1075 |
| C | HOH1081 |
| site_id | AC8 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE COA B 604 |
| Chain | Residue |
| B | ARG57 |
| B | GLY82 |
| B | ARG83 |
| B | SER84 |
| B | SER85 |
| B | LEU109 |
| B | PRO114 |
| B | HOH1003 |
| B | HOH1043 |
| B | HOH1048 |
| B | HOH1052 |
| B | HOH1062 |
| D | ASP18 |
| D | HIS22 |
| D | VAL23 |
| D | ASP61 |
| D | TYR62 |
| D | LEU63 |
| D | ARG64 |
| D | PRO65 |
| D | LEU81 |
| D | GLY82 |
| D | ARG83 |
| D | ARG122 |
| D | ZN1004 |
| D | HOH1007 |
| D | HOH1008 |
| B | GLU50 |
| B | VAL55 |
| B | ALA56 |
