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 |