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 | 0003857 | molecular_function | 3-hydroxyacyl-CoA dehydrogenase activity |
B | 0004300 | molecular_function | enoyl-CoA hydratase activity |
B | 0005829 | cellular_component | cytosol |
B | 0005886 | cellular_component | plasma membrane |
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-3-hydroxyacyl-CoA dehydrogenase 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 | 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_FI1 |
Number of Residues | 1 |
Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000250 |
Chain | Residue | Details |
C | CYS92 |
site_id | SWS_FT_FI2 |
Number of Residues | 2 |
Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU10020 |
Chain | Residue | Details |
C | HIS359 | |
C | CYS389 |
site_id | SWS_FT_FI3 |
Number of Residues | 2 |
Details | CROSSLNK: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup) => ECO:0000269|PubMed:20066036 |
Chain | Residue | Details |
C | LYS189 |