4UBV
Structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis with an partially acetylated cysteine in complex with acetyl-CoA and CoA
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006635 | biological_process | fatty acid beta-oxidation |
| A | 0006707 | biological_process | cholesterol catabolic process |
| A | 0008202 | biological_process | steroid metabolic process |
| A | 0008203 | biological_process | cholesterol metabolic process |
| A | 0010124 | biological_process | phenylacetate catabolic process |
| A | 0016042 | biological_process | lipid catabolic 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 | 0042802 | molecular_function | identical protein binding |
| B | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006635 | biological_process | fatty acid beta-oxidation |
| B | 0006707 | biological_process | cholesterol catabolic process |
| B | 0008202 | biological_process | steroid metabolic process |
| B | 0008203 | biological_process | cholesterol metabolic process |
| B | 0010124 | biological_process | phenylacetate catabolic process |
| B | 0016042 | biological_process | lipid catabolic 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 | 0042802 | molecular_function | identical protein binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 403 |
| Chain | Residue |
| A | DIO406 |
| B | ARG162 |
| B | HOH516 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 404 |
| Chain | Residue |
| A | GLU28 |
| A | ILE196 |
| A | GLN197 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue DIO A 405 |
| Chain | Residue |
| A | ARG17 |
| A | ASN18 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue DIO A 406 |
| Chain | Residue |
| A | SO4403 |
| B | VAL292 |
| A | ARG264 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 407 |
| Chain | Residue |
| A | TRP20 |
| A | ARG212 |
| A | HOH605 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 408 |
| Chain | Residue |
| A | GLY46 |
| A | PRO81 |
| A | GLU82 |
| A | HIS83 |
| A | HOH511 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 409 |
| Chain | Residue |
| A | ARG161 |
| A | ARG162 |
| A | GLY163 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 410 |
| Chain | Residue |
| A | MET333 |
| A | HOH537 |
| site_id | AC9 |
| Number of Residues | 28 |
| Details | binding site for residue COA B 401 |
| Chain | Residue |
| B | LYS16 |
| B | ARG17 |
| B | SCY93 |
| B | LEU128 |
| B | GLN151 |
| B | PHE152 |
| B | ARG221 |
| B | GLU222 |
| B | THR223 |
| B | LEU231 |
| B | ALA242 |
| B | GLY243 |
| B | SER245 |
| B | SER246 |
| B | ILE248 |
| B | ALA317 |
| B | PHE318 |
| B | HIS347 |
| B | VAL349 |
| B | HOH531 |
| B | HOH529 |
| B | HOH526 |
| B | HOH507 |
| B | HOH621 |
| B | HOH616 |
| B | HOH631 |
| B | HOH515 |
| B | HOH598 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 B 402 |
| Chain | Residue |
| B | VAL275 |
| B | ALA302 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue DIO B 403 |
| Chain | Residue |
| B | HIS48 |
| B | ALA49 |
| B | GLY50 |
| B | PRO81 |
| B | GOL408 |
| B | HOH518 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue DIO B 404 |
| Chain | Residue |
| A | ASP190 |
| B | LEU213 |
| B | VAL214 |
| B | PHE215 |
| B | ARG216 |
| site_id | AD4 |
| Number of Residues | 1 |
| Details | binding site for residue DIO B 405 |
| Chain | Residue |
| B | MET225 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue DIO B 406 |
| Chain | Residue |
| A | TRP20 |
| A | PHE215 |
| A | ARG216 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue DIO B 407 |
| Chain | Residue |
| B | TRP20 |
| B | ARG212 |
| B | GOL414 |
| B | HOH638 |
| B | HOH609 |
| site_id | AD7 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 408 |
| Chain | Residue |
| B | HIS48 |
| B | PRO81 |
| B | GLU82 |
| B | HIS83 |
| B | DIO403 |
| site_id | AD8 |
| Number of Residues | 2 |
| Details | binding site for residue GOL B 409 |
| Chain | Residue |
| B | LEU128 |
| B | ARG136 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 410 |
| Chain | Residue |
| B | ALA326 |
| B | GLU330 |
| B | PRO331 |
| B | MET333 |
| B | GOL411 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 411 |
| Chain | Residue |
| B | LEU323 |
| B | MET333 |
| B | GOL410 |
| B | HOH503 |
| site_id | AE2 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 412 |
| Chain | Residue |
| B | ARG178 |
| B | ARG182 |
| B | GOL413 |
| B | HOH619 |
| site_id | AE3 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 413 |
| Chain | Residue |
| B | GOL412 |
| B | HOH629 |
| B | GLU175 |
| B | ARG178 |
| B | ARG179 |
| B | ARG182 |
| B | ASP334 |
| site_id | AE4 |
| Number of Residues | 2 |
| Details | binding site for residue GOL B 414 |
| Chain | Residue |
| B | DIO407 |
| B | GOL415 |
| site_id | AE5 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 415 |
| Chain | Residue |
| A | GLU186 |
| B | LEU220 |
| B | GOL414 |
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 |
