5F38
X-ray crystal structure of a thiolase from Escherichia coli at 1.8 A resolution
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006631 | biological_process | fatty acid metabolic process |
| 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 | 0032991 | cellular_component | protein-containing complex |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0043442 | biological_process | acetoacetic acid catabolic process |
| A | 0044281 | biological_process | small molecule metabolic process |
| B | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006631 | biological_process | fatty acid metabolic process |
| 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 | 0032991 | cellular_component | protein-containing complex |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0043442 | biological_process | acetoacetic acid catabolic process |
| B | 0044281 | biological_process | small molecule metabolic process |
| C | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0006629 | biological_process | lipid metabolic process |
| C | 0006631 | biological_process | fatty acid metabolic process |
| 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 | 0032991 | cellular_component | protein-containing complex |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0043442 | biological_process | acetoacetic acid catabolic process |
| C | 0044281 | biological_process | small molecule metabolic process |
| D | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0006629 | biological_process | lipid metabolic process |
| D | 0006631 | biological_process | fatty acid metabolic process |
| 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 | 0032991 | cellular_component | protein-containing complex |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0043442 | biological_process | acetoacetic acid catabolic process |
| D | 0044281 | biological_process | small molecule metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | binding site for residue COZ B 401 |
| Chain | Residue |
| B | CSX88 |
| B | SER248 |
| B | GLY249 |
| B | MET289 |
| B | ALA319 |
| B | PHE320 |
| B | HIS349 |
| B | HOH504 |
| B | HOH561 |
| B | HOH594 |
| B | HOH603 |
| B | LEU149 |
| B | HOH616 |
| B | HOH662 |
| B | HOH669 |
| B | HOH670 |
| C | ARG134 |
| B | HIS157 |
| B | LYS221 |
| B | SER224 |
| B | LEU229 |
| B | PHE236 |
| B | ALA244 |
| B | GLY245 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 402 |
| Chain | Residue |
| B | THR172 |
| B | ARG173 |
| B | GLU174 |
| B | HOH531 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 403 |
| Chain | Residue |
| B | GLY19 |
| B | SER20 |
| B | ALA22 |
| B | HOH522 |
| B | HOH687 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 404 |
| Chain | Residue |
| B | HIS182 |
| B | ARG185 |
| B | HOH637 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 405 |
| Chain | Residue |
| B | SER25 |
| B | ASP28 |
| B | LYS72 |
| B | HOH663 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 406 |
| Chain | Residue |
| B | ARG185 |
| B | SER224 |
| B | HOH505 |
| D | SER193 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 407 |
| Chain | Residue |
| B | SER25 |
| B | LEU61 |
| B | LEU120 |
| B | EDO408 |
| B | HOH512 |
| B | HOH566 |
| B | HOH595 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 408 |
| Chain | Residue |
| B | LEU120 |
| B | EDO407 |
| B | HOH663 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 401 |
| Chain | Residue |
| A | SER248 |
| A | ILE250 |
| site_id | AD1 |
| Number of Residues | 9 |
| Details | binding site for residue EDO A 402 |
| Chain | Residue |
| A | SER25 |
| A | ALA26 |
| A | LEU61 |
| A | ASN117 |
| A | LEU120 |
| A | HOH521 |
| A | HOH561 |
| A | HOH568 |
| A | HOH570 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 403 |
| Chain | Residue |
| A | ARG173 |
| A | ASP177 |
| A | LEU229 |
| A | GLY230 |
| A | LEU232 |
| A | THR243 |
| A | HOH520 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 404 |
| Chain | Residue |
| A | GLN103 |
| A | LYS277 |
| A | SER278 |
| A | TYR279 |
| B | GLN106 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 405 |
| Chain | Residue |
| A | PHE17 |
| A | ASN18 |
| A | HOH529 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 406 |
| Chain | Residue |
| A | THR172 |
| A | ARG173 |
| A | GLN176 |
| A | ASP177 |
| A | GLU178 |
| A | HOH524 |
| site_id | AD6 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 407 |
| Chain | Residue |
| A | LEU308 |
| A | ILE311 |
| A | ILE314 |
| A | GLY332 |
| A | PHE333 |
| A | ASP334 |
| A | LYS337 |
| site_id | AD7 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 408 |
| Chain | Residue |
| A | VAL205 |
| A | VAL213 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 410 |
| Chain | Residue |
| A | HIS157 |
| A | GLY159 |
| A | ALA235 |
| A | PHE236 |
| site_id | AD9 |
| Number of Residues | 13 |
| Details | binding site for residue 5UG D 401 |
| Chain | Residue |
| A | ARG134 |
| D | LEU149 |
| D | HIS157 |
| D | SER248 |
| D | ILE250 |
| D | MET289 |
| D | ALA319 |
| D | PHE320 |
| D | HIS349 |
| D | HOH536 |
| D | HOH584 |
| D | HOH694 |
| D | HOH704 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 402 |
| Chain | Residue |
| D | SER20 |
| D | PHE212 |
| D | EDO406 |
| D | HOH614 |
| site_id | AE2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 403 |
| Chain | Residue |
| D | PRO295 |
| D | ASN330 |
| D | HOH537 |
| D | HOH580 |
| site_id | AE3 |
| Number of Residues | 2 |
| Details | binding site for residue EDO D 404 |
| Chain | Residue |
| D | LYS221 |
| D | LEU232 |
| site_id | AE4 |
| Number of Residues | 6 |
| Details | binding site for residue EDO D 405 |
| Chain | Residue |
| D | THR207 |
| D | ARG208 |
| D | LYS209 |
| D | LYS210 |
| D | THR211 |
| D | HOH558 |
| site_id | AE5 |
| Number of Residues | 8 |
| Details | binding site for residue EDO D 406 |
| Chain | Residue |
| D | ASN18 |
| D | GLU218 |
| D | EDO402 |
| D | HOH502 |
| D | HOH504 |
| D | HOH508 |
| D | HOH614 |
| D | HOH659 |
| site_id | AE6 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 407 |
| Chain | Residue |
| D | ASN3 |
| D | HOH517 |
| D | HOH524 |
| site_id | AE7 |
| Number of Residues | 2 |
| Details | binding site for residue EDO D 408 |
| Chain | Residue |
| D | HOH507 |
| D | HOH550 |
| site_id | AE8 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 409 |
| Chain | Residue |
| D | GLN298 |
| D | LYS299 |
| D | GLN302 |
| site_id | AE9 |
| Number of Residues | 2 |
| Details | binding site for residue EDO D 410 |
| Chain | Residue |
| D | SER281 |
| D | HOH613 |
| site_id | AF1 |
| Number of Residues | 6 |
| Details | binding site for residue EDO D 411 |
| Chain | Residue |
| D | LEU273 |
| D | ALA274 |
| D | ARG275 |
| D | GLU391 |
| D | ARG392 |
| D | HOH512 |
| site_id | AF2 |
| Number of Residues | 12 |
| Details | binding site for residue 5UG C 401 |
| Chain | Residue |
| C | CSX88 |
| C | LEU149 |
| C | MET158 |
| C | PHE233 |
| C | ALA241 |
| C | SER245 |
| C | MET286 |
| C | ALA316 |
| C | HIS346 |
| C | HOH505 |
| C | HOH594 |
| C | HOH695 |
| site_id | AF3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 402 |
| Chain | Residue |
| C | ALA277 |
| C | SER278 |
| C | HOH627 |
| C | HOH727 |
| D | ASP49 |
| D | HOH626 |
| site_id | AF4 |
| Number of Residues | 7 |
| Details | binding site for residue EDO C 403 |
| Chain | Residue |
| B | ASP137 |
| B | HOH568 |
| B | HOH702 |
| C | TYR141 |
| C | ASP142 |
| C | LEU145 |
| C | ARG146 |
| site_id | AF5 |
| Number of Residues | 1 |
| Details | binding site for residue EDO C 404 |
| Chain | Residue |
| C | GLN364 |
| site_id | AF6 |
| Number of Residues | 3 |
| Details | binding site for residue EDO C 405 |
| Chain | Residue |
| C | ALA166 |
| C | ILE171 |
| C | THR238 |
Functional Information from PROSITE/UniProt
| site_id | PS00098 |
| Number of Residues | 19 |
| Details | THIOLASE_1 Thiolases acyl-enzyme intermediate signature. VNKvCGSGLkSValaaqaI |
| Chain | Residue | Details |
| D | VAL84-ILE102 | |
| C | VAL84-ILE102 | |
| A | VAL84-ILE102 | |
| B | VAL84-ILE102 |
| site_id | PS00099 |
| Number of Residues | 14 |
| Details | THIOLASE_3 Thiolases active site. GLATLCIGgGqGiA |
| Chain | Residue | Details |
| D | GLY374-ALA387 | |
| C | GLY371-ALA384 | |
| A | GLY374-ALA387 | |
| B | GLY374-ALA387 |
| site_id | PS00737 |
| Number of Residues | 17 |
| Details | THIOLASE_2 Thiolases signature 2. NvnGGaIAlGHPiGaSG |
| Chain | Residue | Details |
| D | ASN339-GLY355 | |
| C | ASN336-GLY352 | |
| A | ASN339-GLY355 | |
| B | ASN339-GLY355 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000250 |
| Chain | Residue | Details |
| C | CSX88 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU10020 |
| Chain | Residue | Details |
| C | HIS346 | |
| C | CYS376 |
