4UBU
Structure of a modified C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with CoA
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 | 0010124 | biological_process | phenylacetate 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 | 0010124 | biological_process | phenylacetate 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 |
| C | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| C | 0006635 | biological_process | fatty acid beta-oxidation |
| C | 0006707 | biological_process | cholesterol catabolic process |
| C | 0010124 | biological_process | phenylacetate catabolic process |
| C | 0016746 | molecular_function | acyltransferase activity |
| C | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| C | 0042802 | molecular_function | identical protein binding |
| D | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| D | 0006635 | biological_process | fatty acid beta-oxidation |
| D | 0006707 | biological_process | cholesterol catabolic process |
| D | 0010124 | biological_process | phenylacetate catabolic process |
| D | 0016746 | molecular_function | acyltransferase activity |
| D | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| D | 0042802 | molecular_function | identical protein binding |
| E | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| E | 0006635 | biological_process | fatty acid beta-oxidation |
| E | 0006707 | biological_process | cholesterol catabolic process |
| E | 0010124 | biological_process | phenylacetate catabolic process |
| E | 0016746 | molecular_function | acyltransferase activity |
| E | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| E | 0042802 | molecular_function | identical protein binding |
| F | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| F | 0006635 | biological_process | fatty acid beta-oxidation |
| F | 0006707 | biological_process | cholesterol catabolic process |
| F | 0010124 | biological_process | phenylacetate catabolic process |
| F | 0016746 | molecular_function | acyltransferase activity |
| F | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| F | 0042802 | molecular_function | identical protein binding |
| G | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| G | 0006635 | biological_process | fatty acid beta-oxidation |
| G | 0006707 | biological_process | cholesterol catabolic process |
| G | 0010124 | biological_process | phenylacetate catabolic process |
| G | 0016746 | molecular_function | acyltransferase activity |
| G | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| G | 0042802 | molecular_function | identical protein binding |
| H | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| H | 0006635 | biological_process | fatty acid beta-oxidation |
| H | 0006707 | biological_process | cholesterol catabolic process |
| H | 0010124 | biological_process | phenylacetate catabolic process |
| H | 0016746 | molecular_function | acyltransferase activity |
| H | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
| H | 0042802 | molecular_function | identical protein binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | binding site for residue COA A 400 |
| Chain | Residue |
| A | OAS93 |
| A | ALA242 |
| A | SER246 |
| A | ILE248 |
| A | LEU128 |
| A | GLN151 |
| A | PHE152 |
| A | ARG221 |
| A | THR223 |
| A | THR224 |
| A | LEU231 |
| A | VAL234 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | binding site for residue COA B 400 |
| Chain | Residue |
| B | OAS93 |
| B | LEU128 |
| B | GLN151 |
| B | PHE152 |
| B | ARG221 |
| B | GLU222 |
| B | THR223 |
| B | THR224 |
| B | LEU231 |
| B | VAL234 |
| B | ALA242 |
| B | SER246 |
| B | ILE248 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | binding site for residue COA C 400 |
| Chain | Residue |
| C | OAS93 |
| C | LEU128 |
| C | GLN151 |
| C | PHE152 |
| C | ARG221 |
| C | GLU222 |
| C | LEU231 |
| C | VAL234 |
| C | ALA242 |
| C | SER246 |
| C | ILE248 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | binding site for residue COA D 400 |
| Chain | Residue |
| D | OAS93 |
| D | GLN151 |
| D | PHE152 |
| D | ARG221 |
| D | THR223 |
| D | THR224 |
| D | LEU231 |
| D | VAL234 |
| D | ALA242 |
| D | SER246 |
| D | ILE248 |
| site_id | AC5 |
| Number of Residues | 12 |
| Details | binding site for residue COA E 401 |
| Chain | Residue |
| E | OAS93 |
| E | LEU128 |
| E | GLN151 |
| E | PHE152 |
| E | ARG221 |
| E | GLU222 |
| E | THR223 |
| E | THR224 |
| E | LEU231 |
| E | VAL234 |
| E | ALA242 |
| E | SER246 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | binding site for residue GOL E 402 |
| Chain | Residue |
| A | TRP184 |
| A | ALA185 |
| A | ASP190 |
| A | ARG216 |
| E | GLN181 |
| E | TRP184 |
| E | ALA185 |
| E | ARG216 |
| site_id | AC7 |
| Number of Residues | 10 |
| Details | binding site for residue COA F 400 |
| Chain | Residue |
| F | OAS93 |
| F | GLN151 |
| F | PHE152 |
| F | ARG221 |
| F | GLU222 |
| F | THR224 |
| F | GLY227 |
| F | LEU231 |
| F | ALA242 |
| F | SER246 |
| site_id | AC8 |
| Number of Residues | 13 |
| Details | binding site for residue COA G 401 |
| Chain | Residue |
| G | OAS93 |
| G | LEU128 |
| G | GLN151 |
| G | PHE152 |
| G | ARG221 |
| G | THR223 |
| G | THR224 |
| G | GLY227 |
| G | LEU231 |
| G | VAL234 |
| G | ALA242 |
| G | SER246 |
| G | ILE248 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | binding site for residue GOL G 402 |
| Chain | Residue |
| G | TRP20 |
| G | GLN218 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue GOL G 403 |
| Chain | Residue |
| G | GLU156 |
| G | LYS160 |
| G | GLU236 |
| G | GLY237 |
| G | GLY238 |
| site_id | AD2 |
| Number of Residues | 13 |
| Details | binding site for residue COA H 401 |
| Chain | Residue |
| H | GLN151 |
| H | PHE152 |
| H | ARG221 |
| H | GLU222 |
| H | THR223 |
| H | THR224 |
| H | LEU231 |
| H | VAL234 |
| H | ALA242 |
| H | SER246 |
| H | ILE248 |
| H | OAS93 |
| H | LEU128 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue GOL H 402 |
| Chain | Residue |
| H | TYR3 |
| H | GLU260 |
| H | ARG273 |
| H | GLU389 |
| H | ARG390 |
| H | ILE391 |
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 | 8 |
| Details | Active site: {"description":"Acyl-thioester intermediate","evidences":[{"source":"PubMed","id":"25482540","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"4UBV","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"25482540","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"4UBV","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"25482540","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 16 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"25482540","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4UBT","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 16 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"25482540","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4UBT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4UBV","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"25482540","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4UBT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4UBU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4UBV","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
