6PCD
Crystal structure of beta-ketoadipyl-CoA thiolase mutant (C90S-H356A) in complex Octanoyl coenzyme A
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| A | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
| A | 0033812 | molecular_function | 3-oxoadipyl-CoA thiolase activity |
| A | 0044281 | biological_process | small molecule metabolic process |
| B | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016746 | molecular_function | acyltransferase activity |
| B | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| B | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
| B | 0033812 | molecular_function | 3-oxoadipyl-CoA thiolase activity |
| B | 0044281 | biological_process | small molecule metabolic process |
| C | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016746 | molecular_function | acyltransferase activity |
| C | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| C | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
| C | 0033812 | molecular_function | 3-oxoadipyl-CoA thiolase activity |
| C | 0044281 | biological_process | small molecule metabolic process |
| D | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016746 | molecular_function | acyltransferase activity |
| D | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| D | 0019619 | biological_process | 3,4-dihydroxybenzoate catabolic process |
| D | 0033812 | molecular_function | 3-oxoadipyl-CoA thiolase activity |
| D | 0044281 | biological_process | small molecule metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | binding site for residue COA A 501 |
| Chain | Residue |
| A | SER90 |
| A | ASN322 |
| A | ALA356 |
| A | HOH622 |
| A | HOH724 |
| A | HOH742 |
| A | HOH817 |
| A | HOH845 |
| A | HOH849 |
| A | ILE145 |
| A | MET163 |
| A | ARG226 |
| A | THR229 |
| A | ALA249 |
| A | GLY250 |
| A | SER253 |
| A | GLY254 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | binding site for residue OYA A 502 |
| Chain | Residue |
| A | ASN58 |
| A | THR143 |
| A | THR144 |
| A | GLY146 |
| A | ARG148 |
| A | MET163 |
| A | LEU358 |
| A | HOH603 |
| A | HOH880 |
| D | ARG65 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 503 |
| Chain | Residue |
| A | ARG187 |
| A | SER188 |
| A | LYS191 |
| A | GLU323 |
| A | VAL345 |
| A | ASN346 |
| A | GLY349 |
| A | HOH640 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 504 |
| Chain | Residue |
| A | ASN322 |
| A | ARG364 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | binding site for residue OYA B 501 |
| Chain | Residue |
| B | ASN58 |
| B | THR143 |
| B | THR144 |
| B | ILE145 |
| B | GLY146 |
| B | ARG148 |
| B | LEU358 |
| B | HOH607 |
| B | HOH875 |
| C | ARG65 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | binding site for residue GOL B 502 |
| Chain | Residue |
| B | ARG187 |
| B | SER188 |
| B | LYS191 |
| B | GLU323 |
| B | ASP341 |
| B | VAL345 |
| B | ASN346 |
| B | GLY349 |
| B | HOH610 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 503 |
| Chain | Residue |
| B | ASN322 |
| B | ARG364 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 504 |
| Chain | Residue |
| B | ARG65 |
| C | GLY146 |
| C | GOL502 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue K B 505 |
| Chain | Residue |
| B | ALA9 |
| B | ARG40 |
| B | GLU203 |
| B | HOH922 |
| site_id | AD1 |
| Number of Residues | 8 |
| Details | binding site for residue GOL C 501 |
| Chain | Residue |
| C | ARG187 |
| C | SER188 |
| C | LYS191 |
| C | GLU323 |
| C | VAL345 |
| C | ASN346 |
| C | GLY349 |
| C | HOH630 |
| site_id | AD2 |
| Number of Residues | 9 |
| Details | binding site for residue GOL C 502 |
| Chain | Residue |
| B | ARG65 |
| B | CL504 |
| C | ALA57 |
| C | ASN58 |
| C | THR143 |
| C | THR144 |
| C | ARG148 |
| C | LEU358 |
| C | HOH749 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue CL C 503 |
| Chain | Residue |
| C | ASN322 |
| C | ARG364 |
| C | LEU365 |
| C | HOH823 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue K C 504 |
| Chain | Residue |
| B | PHE53 |
| B | HOH706 |
| C | ARG88 |
| C | ASP95 |
| C | THR99 |
| C | HOH784 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue K C 505 |
| Chain | Residue |
| C | ARG136 |
| C | MET138 |
| D | HOH861 |
| site_id | AD6 |
| Number of Residues | 18 |
| Details | binding site for residue COA D 501 |
| Chain | Residue |
| D | THR229 |
| D | ALA249 |
| D | GLY250 |
| D | SER253 |
| D | GLY254 |
| D | ASN322 |
| D | ALA324 |
| D | HOH607 |
| D | HOH676 |
| D | HOH687 |
| D | HOH725 |
| D | HOH731 |
| D | HOH860 |
| D | HOH894 |
| D | SER90 |
| D | ILE145 |
| D | MET163 |
| D | ARG226 |
| site_id | AD7 |
| Number of Residues | 9 |
| Details | binding site for residue OYA D 502 |
| Chain | Residue |
| A | ARG65 |
| D | ALA57 |
| D | ASN58 |
| D | THR143 |
| D | THR144 |
| D | GLY146 |
| D | ARG148 |
| D | LEU358 |
| D | HOH916 |
| site_id | AD8 |
| Number of Residues | 8 |
| Details | binding site for residue GOL D 503 |
| Chain | Residue |
| D | ARG187 |
| D | SER188 |
| D | LYS191 |
| D | GLU323 |
| D | VAL345 |
| D | ASN346 |
| D | GLY349 |
| D | HOH639 |
| site_id | AD9 |
| Number of Residues | 3 |
| Details | binding site for residue CL D 504 |
| Chain | Residue |
| D | ASN322 |
| D | ARG364 |
| D | HOH823 |
Functional Information from PROSITE/UniProt
| site_id | PS00099 |
| Number of Residues | 14 |
| Details | THIOLASE_3 Thiolases active site. GLATMCVGvGqGlA |
| Chain | Residue | Details |
| A | GLY381-ALA394 |
