4UBW
Apo structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| A | 0006635 | biological_process | fatty acid beta-oxidation |
| A | 0006707 | biological_process | cholesterol catabolic process |
| A | 0008203 | biological_process | cholesterol metabolic process |
| A | 0010124 | biological_process | phenylacetate catabolic process |
| A | 0016042 | biological_process | lipid catabolic process |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| A | 0042802 | molecular_function | identical protein binding |
| B | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| B | 0006635 | biological_process | fatty acid beta-oxidation |
| B | 0006707 | biological_process | cholesterol catabolic process |
| B | 0008203 | biological_process | cholesterol metabolic process |
| B | 0010124 | biological_process | phenylacetate catabolic process |
| B | 0016042 | biological_process | lipid catabolic process |
| B | 0016746 | molecular_function | acyltransferase activity |
| B | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| B | 0042802 | molecular_function | identical protein binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 401 |
| Chain | Residue |
| A | GLY64 |
| A | GLU65 |
| A | ARG125 |
| A | VAL126 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 402 |
| Chain | Residue |
| A | LEU323 |
| A | ALA326 |
| A | ARG327 |
| A | MET333 |
| A | DMS406 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 403 |
| Chain | Residue |
| A | PRO195 |
| A | ILE196 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 404 |
| Chain | Residue |
| A | ARG161 |
| A | THR269 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue DMS A 405 |
| Chain | Residue |
| A | PHE172 |
| A | GLU175 |
| A | SER176 |
| A | ARG179 |
| A | VAL336 |
| A | ASN337 |
| A | DMS406 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue DMS A 406 |
| Chain | Residue |
| A | GOL402 |
| A | DMS405 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 407 |
| Chain | Residue |
| A | TRP20 |
| A | ARG212 |
| A | VAL214 |
| A | PHE215 |
| A | ARG216 |
| B | ASP190 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 408 |
| Chain | Residue |
| A | ILE306 |
| A | GLY307 |
| A | ILE309 |
| A | PRO331 |
| A | ASP332 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 409 |
| Chain | Residue |
| A | ASN18 |
| A | SER22 |
| A | SER124 |
| A | ARG125 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 410 |
| Chain | Residue |
| A | ASP51 |
| A | VAL262 |
| A | HIS266 |
| B | GLY50 |
| site_id | AD2 |
| Number of Residues | 2 |
| Details | binding site for residue DMS A 411 |
| Chain | Residue |
| A | ARG178 |
| A | ARG182 |
| site_id | AD3 |
| Number of Residues | 2 |
| Details | binding site for residue DMS A 412 |
| Chain | Residue |
| A | ARG17 |
| A | ILE248 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue DMS A 413 |
| Chain | Residue |
| A | PRO207 |
| A | THR208 |
| B | GLU283 |
| site_id | AD5 |
| Number of Residues | 7 |
| Details | binding site for residue DMS A 414 |
| Chain | Residue |
| A | ARG221 |
| A | GLU222 |
| A | THR223 |
| A | THR224 |
| A | GLY227 |
| A | LEU228 |
| A | LEU231 |
| site_id | AD6 |
| Number of Residues | 1 |
| Details | binding site for residue DMS A 415 |
| Chain | Residue |
| B | ALA185 |
| site_id | AD7 |
| Number of Residues | 1 |
| Details | binding site for residue DMS A 416 |
| Chain | Residue |
| A | LYS301 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue DMS A 417 |
| Chain | Residue |
| A | ASN18 |
| A | LEU201 |
| A | ARG212 |
| site_id | AD9 |
| Number of Residues | 1 |
| Details | binding site for residue DMS A 420 |
| Chain | Residue |
| A | ARG366 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 421 |
| Chain | Residue |
| A | HOH559 |
| B | GLY46 |
| B | LEU47 |
| B | HIS266 |
| site_id | AE2 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 401 |
| Chain | Residue |
| B | VAL171 |
| B | PHE172 |
| B | GLU175 |
| B | ARG179 |
| B | CL413 |
| site_id | AE3 |
| Number of Residues | 2 |
| Details | binding site for residue GOL B 402 |
| Chain | Residue |
| B | TRP20 |
| B | ARG212 |
| site_id | AE4 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 403 |
| Chain | Residue |
| B | TRP20 |
| B | ARG212 |
| B | LEU213 |
| B | VAL214 |
| B | PHE215 |
| B | ARG216 |
| site_id | AE5 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 404 |
| Chain | Residue |
| B | ARG178 |
| B | GLN181 |
| B | GLU222 |
| B | THR223 |
| site_id | AE6 |
| Number of Residues | 3 |
| Details | binding site for residue DMS B 405 |
| Chain | Residue |
| A | GLU82 |
| B | SER45 |
| B | ALA282 |
| site_id | AE7 |
| Number of Residues | 1 |
| Details | binding site for residue DMS B 406 |
| Chain | Residue |
| B | ARG182 |
| site_id | AE8 |
| Number of Residues | 2 |
| Details | binding site for residue DMS B 407 |
| Chain | Residue |
| B | ASP332 |
| B | ARG335 |
| site_id | AE9 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 408 |
| Chain | Residue |
| B | ILE306 |
| B | ILE309 |
| B | ASP332 |
| B | ARG335 |
| site_id | AF1 |
| Number of Residues | 1 |
| Details | binding site for residue DMS B 411 |
| Chain | Residue |
| B | GLN181 |
| site_id | AF2 |
| Number of Residues | 5 |
| Details | binding site for residue NA B 412 |
| Chain | Residue |
| A | GLN54 |
| B | GLN98 |
| B | HIS101 |
| B | GLN277 |
| B | LEU279 |
| site_id | AF3 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 413 |
| Chain | Residue |
| B | ARG179 |
| B | GOL401 |
| B | GLU175 |
Functional Information from PROSITE/UniProt
| site_id | PS00737 |
| Number of Residues | 17 |
| Details | THIOLASE_2 Thiolases signature 2. NvnGGaIAlGHPvGcTG |
| Chain | Residue | Details |
| A | ASN337-GLY353 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000305|PubMed:25482540, ECO:0007744|PDB:4UBV |
| Chain | Residue | Details |
| A | CYS93 | |
| B | CYS93 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:25482540, ECO:0007744|PDB:4UBV |
| Chain | Residue | Details |
| A | HIS347 | |
| B | HIS347 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:25482540 |
| Chain | Residue | Details |
| A | CYS377 | |
| B | CYS377 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:25482540, ECO:0007744|PDB:4UBT |
| Chain | Residue | Details |
| A | GLN151 | |
| A | GLY379 | |
| B | GLN151 | |
| B | GLY379 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:25482540, ECO:0007744|PDB:4UBT, ECO:0007744|PDB:4UBV |
| Chain | Residue | Details |
| A | ARG221 | |
| B | ARG221 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:25482540, ECO:0007744|PDB:4UBT, ECO:0007744|PDB:4UBU, ECO:0007744|PDB:4UBV |
| Chain | Residue | Details |
| A | SER246 | |
| B | SER246 |
