7O4Q
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in space group C2221 (unliganded)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0003857 | molecular_function | (3S)-3-hydroxyacyl-CoA dehydrogenase (NAD+) activity |
| B | 0004300 | molecular_function | enoyl-CoA hydratase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006635 | biological_process | fatty acid beta-oxidation |
| B | 0009274 | cellular_component | peptidoglycan-based cell wall |
| B | 0016042 | biological_process | lipid catabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016509 | molecular_function | long-chain (3S)-3-hydroxyacyl-CoA dehydrogenase (NAD+) activity |
| B | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| B | 0016829 | molecular_function | lyase activity |
| B | 0070403 | molecular_function | NAD+ binding |
| C | 0003985 | molecular_function | acetyl-CoA C-acetyltransferase activity |
| C | 0005886 | cellular_component | plasma membrane |
| C | 0009274 | cellular_component | peptidoglycan-based cell wall |
| 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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 901 |
| Chain | Residue |
| B | GLU414 |
| B | THR442 |
| B | LEU559 |
| B | LYS562 |
| B | ILE563 |
| B | HOH1093 |
| B | HOH1113 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | binding site for residue GOL B 902 |
| Chain | Residue |
| B | LYS365 |
| B | PRO395 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 903 |
| Chain | Residue |
| B | GLY293 |
| B | GLN294 |
| B | VAL295 |
| B | HOH1072 |
| B | HOH1116 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 904 |
| Chain | Residue |
| B | VAL274 |
| B | ASP275 |
| C | HIS24 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 905 |
| Chain | Residue |
| B | PRO631 |
| B | LEU632 |
| B | HOH1140 |
| C | HIS243 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 906 |
| Chain | Residue |
| B | TYR607 |
| B | ALA608 |
| B | GLY610 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 907 |
| Chain | Residue |
| B | SER658 |
| B | THR659 |
| B | ALA660 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 908 |
| Chain | Residue |
| B | LYS133 |
| B | ARG702 |
| B | LEU719 |
| B | SER720 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 909 |
| Chain | Residue |
| B | ARG598 |
| B | LYS611 |
| B | ARG612 |
| site_id | AD1 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 910 |
| Chain | Residue |
| B | PRO220 |
| B | LYS223 |
| B | HOH1014 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 911 |
| Chain | Residue |
| B | LYS133 |
| B | LYS177 |
| B | ARG385 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 912 |
| Chain | Residue |
| B | SER357 |
| B | LEU358 |
| B | GLU359 |
| B | HOH1082 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 913 |
| Chain | Residue |
| B | ASP468 |
| B | LYS469 |
| B | PRO471 |
| B | GLY497 |
| B | LYS498 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue GOL C 701 |
| Chain | Residue |
| C | ILE36 |
| C | LEU39 |
| C | ARG40 |
| C | GLU48 |
| C | MET79 |
| C | MET268 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue GOL C 702 |
| Chain | Residue |
| C | GLY131 |
| C | GLY132 |
| C | MET134 |
| C | GLY135 |
| site_id | AD7 |
| Number of Residues | 2 |
| Details | binding site for residue GOL C 703 |
| Chain | Residue |
| C | GLU246 |
| C | LYS247 |
| site_id | AD8 |
| Number of Residues | 8 |
| Details | binding site for residue GOL C 704 |
| Chain | Residue |
| B | LYS251 |
| C | LEU231 |
| C | GLY232 |
| C | GLY233 |
| C | PHE234 |
| C | ASP235 |
| C | ASP236 |
| C | HOH805 |
| site_id | AD9 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 C 705 |
| Chain | Residue |
| C | SER163 |
| C | ARG164 |
| C | ASN249 |
| C | HOH847 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 C 706 |
| Chain | Residue |
| C | ARG173 |
| C | LYS177 |
| C | ASP345 |
| C | GLU346 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 C 707 |
| Chain | Residue |
| C | ARG195 |
| C | LEU201 |
| C | HOH803 |
| site_id | AE3 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 C 708 |
| Chain | Residue |
| C | PRO193 |
| C | ARG195 |
| C | SO4709 |
| C | HOH884 |
| site_id | AE4 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 C 709 |
| Chain | Residue |
| C | GLU38 |
| C | ARG42 |
| C | ALA188 |
| C | VAL191 |
| C | PRO193 |
| C | SO4708 |
| site_id | AE5 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 C 710 |
| Chain | Residue |
| C | ARG382 |
| C | ARG402 |
| site_id | AE6 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 C 711 |
| Chain | Residue |
| C | GLU180 |
| C | ARG382 |
| site_id | AE7 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 C 712 |
| Chain | Residue |
| C | ARG285 |
| C | VAL287 |
| C | ALA314 |
| site_id | AE8 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 C 713 |
| Chain | Residue |
| C | HOH802 |
| C | THR317 |
| C | VAL318 |
| site_id | AE9 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 C 714 |
| Chain | Residue |
| C | THR304 |
| C | ARG308 |
Functional Information from PROSITE/UniProt
| site_id | PS00098 |
| Number of Residues | 19 |
| Details | THIOLASE_1 Thiolases acyl-enzyme intermediate signature. LNRfCASGLeAVntaaqkV |
| Chain | Residue | Details |
| C | LEU88-VAL106 |
| site_id | PS00099 |
| Number of Residues | 14 |
| Details | THIOLASE_3 Thiolases active site. ALITLCIGgGmGvA |
| Chain | Residue | Details |
| C | ALA384-ALA397 |
| site_id | PS00737 |
| Number of Residues | 17 |
| Details | THIOLASE_2 Thiolases signature 2. NvnGGaIAmGHPlGaTG |
| Chain | Residue | Details |
| C | ASN349-GLY365 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI10 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Acyl-thioester intermediate","evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU10020","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI12 |
| Number of Residues | 2 |
| Details | Cross-link: {"description":"Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)","evidences":[{"source":"PubMed","id":"20066036","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
