5F0V
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 | 0006631 | biological_process | fatty acid metabolic process |
| 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 | 0006631 | biological_process | fatty acid metabolic process |
| 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 | 0006631 | biological_process | fatty acid metabolic process |
| 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 | 0006631 | biological_process | fatty acid metabolic process |
| 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 | 8 |
| Details | binding site for residue EDO A 401 |
| Chain | Residue |
| A | LEU179 |
| A | SER183 |
| A | LYS186 |
| A | GLU318 |
| A | PHE324 |
| A | VAL338 |
| A | ASN339 |
| A | HOH595 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue EDO A 402 |
| Chain | Residue |
| A | THR172 |
| A | ARG173 |
| A | THR241 |
| A | EDO405 |
| A | HOH503 |
| A | HOH631 |
| A | HOH716 |
| C | PRO202 |
| A | ILE171 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 403 |
| Chain | Residue |
| A | GLN184 |
| A | ALA188 |
| A | LYS221 |
| A | ALA222 |
| A | ASN223 |
| A | SER224 |
| A | HOH628 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 404 |
| Chain | Residue |
| A | ASP49 |
| A | GLY105 |
| A | GLN106 |
| A | ALA107 |
| A | GLN108 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 405 |
| Chain | Residue |
| A | THR172 |
| A | ARG173 |
| A | GLU174 |
| A | EDO402 |
| A | HOH507 |
| A | HOH666 |
| C | PRO202 |
| C | SER215 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 406 |
| Chain | Residue |
| A | GLY19 |
| A | SER20 |
| A | SER23 |
| A | HOH541 |
| A | HOH647 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 407 |
| Chain | Residue |
| A | ARG173 |
| A | LEU232 |
| A | PRO234 |
| A | HOH506 |
| C | ASN204 |
| C | VAL206 |
| C | THR211 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 408 |
| Chain | Residue |
| A | SER281 |
| A | HOH534 |
| A | HOH682 |
| B | ASP49 |
| B | GLN106 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 409 |
| Chain | Residue |
| A | GLU178 |
| A | LEU179 |
| A | HOH546 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 410 |
| Chain | Residue |
| A | SER131 |
| A | ARG134 |
| C | ARG130 |
| C | SER131 |
| C | ARG134 |
| D | EDO403 |
| site_id | AD2 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 411 |
| Chain | Residue |
| A | ALA31 |
| A | LYS72 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 412 |
| Chain | Residue |
| A | GLN68 |
| A | HOH542 |
| B | THR153 |
| B | ALA231 |
| site_id | AD4 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 413 |
| Chain | Residue |
| A | GLU168 |
| A | TYR169 |
| site_id | AD5 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 414 |
| Chain | Residue |
| A | SER73 |
| A | GLY74 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 415 |
| Chain | Residue |
| A | TYR141 |
| A | ASP142 |
| A | LEU145 |
| A | ARG146 |
| D | ASP137 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 416 |
| Chain | Residue |
| A | ASP237 |
| A | LYS238 |
| A | HOH511 |
| site_id | AD8 |
| Number of Residues | 8 |
| Details | binding site for residue EDO B 401 |
| Chain | Residue |
| B | LEU179 |
| B | SER183 |
| B | LYS186 |
| B | GLU318 |
| B | PHE324 |
| B | VAL338 |
| B | ASN339 |
| B | HOH531 |
| site_id | AD9 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 402 |
| Chain | Residue |
| B | LYS186 |
| B | ALA190 |
| B | VAL340 |
| B | ASN341 |
| B | ARG369 |
| B | EDO403 |
| C | EDO402 |
| site_id | AE1 |
| Number of Residues | 10 |
| Details | binding site for residue EDO B 403 |
| Chain | Residue |
| B | EDO402 |
| B | HOH506 |
| B | HOH536 |
| B | HOH553 |
| B | HOH698 |
| C | LYS238 |
| C | EDO402 |
| B | ARG185 |
| B | LYS186 |
| B | ALA189 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 404 |
| Chain | Residue |
| A | ASP49 |
| B | ALA280 |
| B | SER281 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 405 |
| Chain | Residue |
| B | LEU232 |
| B | ALA244 |
| B | HOH501 |
| B | HOH503 |
| B | HOH598 |
| site_id | AE4 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 406 |
| Chain | Residue |
| B | ALA166 |
| B | ILE171 |
| B | THR172 |
| B | THR241 |
| B | HOH527 |
| B | HOH626 |
| B | HOH665 |
| site_id | AE5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 407 |
| Chain | Residue |
| B | LYS35 |
| B | SER45 |
| B | SER73 |
| B | GLY74 |
| site_id | AE6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 408 |
| Chain | Residue |
| B | ASP137 |
| B | HOH550 |
| C | LEU145 |
| C | ARG146 |
| C | MET150 |
| site_id | AE7 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 409 |
| Chain | Residue |
| B | GLY19 |
| B | SER20 |
| B | SER23 |
| B | HOH578 |
| site_id | AE8 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 410 |
| Chain | Residue |
| A | LEU120 |
| B | SER131 |
| B | HOH502 |
| site_id | AE9 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 411 |
| Chain | Residue |
| B | LEU145 |
| B | HIS157 |
| B | HOH564 |
| site_id | AF1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 412 |
| Chain | Residue |
| B | GLN298 |
| B | LYS299 |
| B | GLN302 |
| B | HOH686 |
| site_id | AF2 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 413 |
| Chain | Residue |
| B | GLN184 |
| B | ARG185 |
| B | LYS221 |
| B | ASN223 |
| B | SER224 |
| B | HOH552 |
| site_id | AF3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 414 |
| Chain | Residue |
| B | TYR141 |
| B | ARG146 |
| C | ASP137 |
| C | HOH526 |
| site_id | AF4 |
| Number of Residues | 8 |
| Details | binding site for residue EDO C 401 |
| Chain | Residue |
| C | LEU179 |
| C | SER183 |
| C | LYS186 |
| C | GLU318 |
| C | PHE324 |
| C | VAL338 |
| C | ASN339 |
| C | HOH519 |
| site_id | AF5 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 402 |
| Chain | Residue |
| B | ARG369 |
| B | EDO402 |
| B | EDO403 |
| C | LYS238 |
| C | ALA239 |
| C | HOH552 |
| site_id | AF6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 403 |
| Chain | Residue |
| C | ALA280 |
| C | SER281 |
| D | ASP49 |
| D | HOH625 |
| site_id | AF7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO C 404 |
| Chain | Residue |
| C | ASN18 |
| C | GLY19 |
| C | SER20 |
| C | SER23 |
| C | HOH502 |
| C | HOH522 |
| C | HOH629 |
| site_id | AF8 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 405 |
| Chain | Residue |
| C | PRO285 |
| C | ALA287 |
| C | LEU288 |
| C | HOH501 |
| site_id | AF9 |
| Number of Residues | 3 |
| Details | binding site for residue EDO C 406 |
| Chain | Residue |
| B | GLN139 |
| C | ASP137 |
| C | GLN139 |
| site_id | AG1 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 401 |
| Chain | Residue |
| D | GLY19 |
| D | SER20 |
| D | SER23 |
| site_id | AG2 |
| Number of Residues | 8 |
| Details | binding site for residue EDO D 402 |
| Chain | Residue |
| D | LEU179 |
| D | SER183 |
| D | LYS186 |
| D | GLU318 |
| D | PHE324 |
| D | VAL338 |
| D | ASN339 |
| D | HOH554 |
| site_id | AG3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO D 403 |
| Chain | Residue |
| A | EDO410 |
| D | PHE17 |
| D | ASN18 |
| D | SER119 |
| D | HOH521 |
| D | HOH573 |
| site_id | AG4 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 404 |
| Chain | Residue |
| C | HOH666 |
| D | ALA280 |
| D | SER281 |
| D | HOH552 |
| site_id | AG5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 405 |
| Chain | Residue |
| C | MET1 |
| C | ALA104 |
| D | MET1 |
| D | GLN103 |
| site_id | AG6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO D 406 |
| Chain | Residue |
| A | ASN18 |
| B | ARG130 |
| B | SER131 |
| D | SER131 |
| D | ARG134 |
| D | HOH501 |
| site_id | AG7 |
| Number of Residues | 5 |
| Details | binding site for residue EDO D 407 |
| Chain | Residue |
| D | LEU124 |
| D | LEU125 |
| D | ALA127 |
| D | TYR141 |
| D | ARG146 |
| site_id | AG8 |
| Number of Residues | 2 |
| Details | binding site for residue EDO D 408 |
| Chain | Residue |
| C | LEU393 |
| D | GLY305 |
Functional Information from PROSITE/UniProt
| site_id | PS00098 |
| Number of Residues | 19 |
| Details | THIOLASE_1 Thiolases acyl-enzyme intermediate signature. VNKvCGSGLkSValaaqaI |
| Chain | Residue | Details |
| A | VAL84-ILE102 |
| site_id | PS00099 |
| Number of Residues | 14 |
| Details | THIOLASE_3 Thiolases active site. GLATLCIGgGqGiA |
| Chain | Residue | Details |
| A | GLY374-ALA387 |
| site_id | PS00737 |
| Number of Residues | 17 |
| Details | THIOLASE_2 Thiolases signature 2. NvnGGaIAlGHPiGaSG |
| Chain | Residue | Details |
| A | ASN339-GLY355 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000250 |
| Chain | Residue | Details |
| A | CYS88 | |
| B | CYS88 | |
| C | CYS88 | |
| D | CYS88 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU10020 |
| Chain | Residue | Details |
| A | HIS349 | |
| A | CYS379 | |
| B | HIS349 | |
| B | CYS379 | |
| C | HIS349 | |
| C | CYS379 | |
| D | HIS349 | |
| D | CYS379 |
