4UBT
Structure of the C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with a steroid 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 |
| C | 0003988 | molecular_function | acetyl-CoA C-acyltransferase activity |
| C | 0006629 | biological_process | lipid metabolic process |
| C | 0006635 | biological_process | fatty acid beta-oxidation |
| C | 0006707 | biological_process | cholesterol catabolic process |
| C | 0008202 | biological_process | steroid metabolic process |
| C | 0008203 | biological_process | cholesterol metabolic process |
| C | 0010124 | biological_process | phenylacetate catabolic process |
| C | 0016042 | biological_process | lipid catabolic process |
| C | 0016740 | molecular_function | transferase activity |
| 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 | 0006629 | biological_process | lipid metabolic process |
| D | 0006635 | biological_process | fatty acid beta-oxidation |
| D | 0006707 | biological_process | cholesterol catabolic process |
| D | 0008202 | biological_process | steroid metabolic process |
| D | 0008203 | biological_process | cholesterol metabolic process |
| D | 0010124 | biological_process | phenylacetate catabolic process |
| D | 0016042 | biological_process | lipid catabolic process |
| D | 0016740 | molecular_function | transferase activity |
| 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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | binding site for residue COA A 401 |
| Chain | Residue |
| A | GLN151 |
| A | HOH641 |
| A | HOH675 |
| A | HOH695 |
| A | HOH620 |
| A | HOH645 |
| A | HOH505 |
| A | HOH703 |
| A | HOH584 |
| A | PHE152 |
| A | ARG221 |
| A | THR223 |
| A | LEU231 |
| A | ALA242 |
| A | SER246 |
| A | 3G6402 |
| A | HOH541 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue 3G6 A 402 |
| Chain | Residue |
| A | GLN92 |
| A | SER93 |
| A | ARG136 |
| A | GLN151 |
| A | ALA378 |
| A | GLY379 |
| A | COA401 |
| A | HOH505 |
| B | ASN68 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 403 |
| Chain | Residue |
| A | SER22 |
| A | SER124 |
| A | ARG125 |
| A | ASN205 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 404 |
| Chain | Residue |
| A | TRP184 |
| A | ASP190 |
| A | ARG216 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 405 |
| Chain | Residue |
| A | ARG212 |
| A | LEU213 |
| A | VAL214 |
| A | PHE215 |
| A | HOH512 |
| A | HOH597 |
| site_id | AC6 |
| Number of Residues | 1 |
| Details | binding site for residue CL A 406 |
| Chain | Residue |
| A | GLY229 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 407 |
| Chain | Residue |
| A | HIS48 |
| A | ALA49 |
| A | HOH667 |
| site_id | AC8 |
| Number of Residues | 22 |
| Details | binding site for residue COA B 401 |
| Chain | Residue |
| B | GLN151 |
| B | PHE152 |
| B | ARG221 |
| B | THR223 |
| B | LEU231 |
| B | ALA242 |
| B | SER246 |
| B | ILE248 |
| B | ALA317 |
| B | PHE318 |
| B | 3G6402 |
| B | HOH531 |
| B | HOH588 |
| B | HOH664 |
| B | HOH670 |
| B | HOH639 |
| B | HOH646 |
| B | HOH652 |
| B | HOH608 |
| B | HOH689 |
| B | HOH512 |
| B | HOH642 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | binding site for residue 3G6 B 402 |
| Chain | Residue |
| B | GLN92 |
| B | SER93 |
| B | ARG136 |
| B | ILE139 |
| B | GLN151 |
| B | ALA378 |
| B | GLY379 |
| B | COA401 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 403 |
| Chain | Residue |
| B | HOH569 |
| B | HOH778 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 404 |
| Chain | Residue |
| B | HIS48 |
| B | GLY50 |
| B | PRO81 |
| B | HIS83 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 405 |
| Chain | Residue |
| B | ARG212 |
| B | LEU213 |
| C | HOH771 |
| site_id | AD4 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 406 |
| Chain | Residue |
| B | THR223 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 407 |
| Chain | Residue |
| B | ARG140 |
| B | ILE146 |
| B | LEU148 |
| site_id | AD6 |
| Number of Residues | 9 |
| Details | binding site for residue 3G6 C 401 |
| Chain | Residue |
| C | GLN92 |
| C | SER93 |
| C | ARG136 |
| C | ILE139 |
| C | GLN151 |
| C | ALA378 |
| C | GLY379 |
| C | COA402 |
| C | HOH505 |
| site_id | AD7 |
| Number of Residues | 16 |
| Details | binding site for residue COA C 402 |
| Chain | Residue |
| C | LEU231 |
| C | ALA242 |
| C | SER246 |
| C | ILE248 |
| C | 3G6401 |
| C | HOH616 |
| C | HOH643 |
| C | HOH558 |
| C | HOH680 |
| C | HOH646 |
| C | HOH505 |
| C | HOH657 |
| C | GLN151 |
| C | PHE152 |
| C | ARG221 |
| C | THR223 |
| site_id | AD8 |
| Number of Residues | 9 |
| Details | binding site for residue GOL C 403 |
| Chain | Residue |
| B | TRP184 |
| B | ASP190 |
| B | HOH712 |
| C | ASP190 |
| C | PRO195 |
| C | PHE215 |
| C | HOH587 |
| C | HOH517 |
| C | HOH550 |
| site_id | AD9 |
| Number of Residues | 6 |
| Details | binding site for residue PEG C 404 |
| Chain | Residue |
| C | LEU323 |
| C | ALA326 |
| C | ARG327 |
| C | GLU330 |
| C | PRO331 |
| C | HOH681 |
| site_id | AE1 |
| Number of Residues | 3 |
| Details | binding site for residue CL C 405 |
| Chain | Residue |
| B | HOH514 |
| C | GLN181 |
| C | HOH737 |
| site_id | AE2 |
| Number of Residues | 2 |
| Details | binding site for residue NA C 406 |
| Chain | Residue |
| C | ASP310 |
| C | SER370 |
| site_id | AE3 |
| Number of Residues | 17 |
| Details | binding site for residue COA D 401 |
| Chain | Residue |
| D | SER93 |
| D | GLN151 |
| D | PHE152 |
| D | ARG221 |
| D | THR223 |
| D | LEU231 |
| D | SER246 |
| D | ALA317 |
| D | PHE318 |
| D | HIS347 |
| D | CL404 |
| D | HOH623 |
| D | HOH639 |
| D | HOH534 |
| D | HOH632 |
| D | HOH651 |
| D | HOH634 |
| site_id | AE4 |
| Number of Residues | 8 |
| Details | binding site for residue GOL D 402 |
| Chain | Residue |
| A | ARG264 |
| A | THR269 |
| A | HOH509 |
| D | GLU153 |
| D | GLU156 |
| D | ARG157 |
| D | LYS160 |
| D | HOH539 |
| site_id | AE5 |
| Number of Residues | 2 |
| Details | binding site for residue CL D 403 |
| Chain | Residue |
| D | SER194 |
| D | HOH636 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue CL D 404 |
| Chain | Residue |
| D | GLN92 |
| D | SER93 |
| D | GLY379 |
| D | COA401 |
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 | 4 |
| 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 | 4 |
| 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 | 4 |
| 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 | 8 |
| 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 | 8 |
| 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 | 4 |
| 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 |
