7O4T
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme with Coenzyme A bound at the hydratase, thiolase active sites and possible additional binding site (CoA(ECH/HAD))
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000166 | molecular_function | nucleotide binding |
A | 0003857 | molecular_function | 3-hydroxyacyl-CoA dehydrogenase activity |
A | 0004300 | molecular_function | enoyl-CoA hydratase activity |
A | 0005829 | cellular_component | cytosol |
A | 0005886 | cellular_component | plasma membrane |
A | 0006631 | biological_process | fatty acid metabolic process |
A | 0006635 | biological_process | fatty acid beta-oxidation |
A | 0009056 | biological_process | catabolic process |
A | 0009274 | cellular_component | peptidoglycan-based cell wall |
A | 0016042 | biological_process | lipid catabolic process |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0016509 | molecular_function | long-chain-3-hydroxyacyl-CoA dehydrogenase activity |
A | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
A | 0016829 | molecular_function | lyase activity |
A | 0070403 | molecular_function | NAD+ binding |
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 | 0009056 | biological_process | catabolic process |
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 | 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 |
D | 0005886 | cellular_component | plasma membrane |
D | 0009274 | cellular_component | peptidoglycan-based cell wall |
D | 0016746 | molecular_function | acyltransferase activity |
D | 0016747 | molecular_function | acyltransferase activity, transferring groups other than amino-acyl groups |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 14 |
Details | binding site for residue COA A 801 |
Chain | Residue |
A | SER26 |
A | PRO140 |
A | GLU141 |
A | LEU144 |
A | ARG175 |
A | GLN308 |
A | THR27 |
A | VAL29 |
A | ALA66 |
A | GLY68 |
A | ASP69 |
A | VAL70 |
A | LEU114 |
A | GLY116 |
site_id | AC2 |
Number of Residues | 13 |
Details | binding site for residue COA A 802 |
Chain | Residue |
A | VAL142 |
A | THR143 |
A | ALA171 |
A | LEU249 |
A | GLN252 |
A | MET258 |
A | MET299 |
A | PHE303 |
A | LYS469 |
A | PRO471 |
A | ILE667 |
A | MET668 |
A | PRO674 |
site_id | AC3 |
Number of Residues | 2 |
Details | binding site for residue GOL A 803 |
Chain | Residue |
A | ASP710 |
A | ARG711 |
site_id | AC4 |
Number of Residues | 1 |
Details | binding site for residue GOL A 804 |
Chain | Residue |
A | GLY230 |
site_id | AC5 |
Number of Residues | 2 |
Details | binding site for residue PAP A 805 |
Chain | Residue |
A | GLN629 |
D | TRP244 |
site_id | AC6 |
Number of Residues | 5 |
Details | binding site for residue SO4 A 806 |
Chain | Residue |
A | PRO259 |
A | GLY293 |
A | GLN294 |
A | VAL295 |
A | HOH936 |
site_id | AC7 |
Number of Residues | 3 |
Details | binding site for residue SO4 A 807 |
Chain | Residue |
A | VAL274 |
A | ASP275 |
C | HIS24 |
site_id | AC8 |
Number of Residues | 3 |
Details | binding site for residue SO4 A 808 |
Chain | Residue |
A | HIS-7 |
A | HIS-8 |
A | HIS-6 |
site_id | AC9 |
Number of Residues | 3 |
Details | binding site for residue SO4 A 809 |
Chain | Residue |
A | PRO631 |
A | LEU632 |
D | HIS243 |
site_id | AD1 |
Number of Residues | 2 |
Details | binding site for residue SO4 A 810 |
Chain | Residue |
A | SER658 |
A | THR659 |
site_id | AD2 |
Number of Residues | 1 |
Details | binding site for residue SO4 A 811 |
Chain | Residue |
A | ARG507 |
site_id | AD3 |
Number of Residues | 14 |
Details | binding site for residue COA B 801 |
Chain | Residue |
B | SER26 |
B | THR27 |
B | VAL29 |
B | ALA66 |
B | GLY68 |
B | ASP69 |
B | VAL70 |
B | LYS71 |
B | LEU114 |
B | GLY116 |
B | GLU141 |
B | LEU144 |
B | ARG175 |
B | GLN308 |
site_id | AD4 |
Number of Residues | 3 |
Details | binding site for residue GOL B 802 |
Chain | Residue |
A | HIS-6 |
B | ASP11 |
B | ALA12 |
site_id | AD5 |
Number of Residues | 8 |
Details | binding site for residue COA B 803 |
Chain | Residue |
B | VAL142 |
B | ALA171 |
B | MET258 |
B | PRO261 |
B | MET299 |
B | LYS469 |
B | ILE667 |
B | MET668 |
site_id | AD6 |
Number of Residues | 4 |
Details | binding site for residue PAP B 804 |
Chain | Residue |
B | GLN629 |
B | HOH901 |
B | HOH953 |
C | TRP244 |
site_id | AD7 |
Number of Residues | 4 |
Details | binding site for residue SO4 B 805 |
Chain | Residue |
B | GLY293 |
B | GLN294 |
B | VAL295 |
B | HOH950 |
site_id | AD8 |
Number of Residues | 2 |
Details | binding site for residue SO4 B 806 |
Chain | Residue |
B | LEU632 |
C | HIS243 |
site_id | AD9 |
Number of Residues | 3 |
Details | binding site for residue SO4 B 807 |
Chain | Residue |
B | VAL274 |
B | ASP275 |
D | HIS24 |
site_id | AE1 |
Number of Residues | 4 |
Details | binding site for residue SO4 B 808 |
Chain | Residue |
B | THR692 |
B | GLY693 |
B | LYS694 |
B | ALA695 |
site_id | AE2 |
Number of Residues | 3 |
Details | binding site for residue SO4 B 809 |
Chain | Residue |
B | HIS-7 |
B | HIS-6 |
B | HIS-8 |
site_id | AE3 |
Number of Residues | 2 |
Details | binding site for residue SO4 B 810 |
Chain | Residue |
B | SER658 |
B | THR659 |
site_id | AE4 |
Number of Residues | 2 |
Details | binding site for residue SO4 B 811 |
Chain | Residue |
B | PRO220 |
B | LYS223 |
site_id | AE5 |
Number of Residues | 1 |
Details | binding site for residue SO4 B 812 |
Chain | Residue |
B | ARG507 |
site_id | AE6 |
Number of Residues | 10 |
Details | binding site for residue COA C 501 |
Chain | Residue |
C | CYS92 |
C | GLN149 |
C | ARG210 |
C | THR213 |
C | LEU221 |
C | PHE225 |
C | GLY254 |
C | GLY255 |
C | SER258 |
C | ALA329 |
site_id | AE7 |
Number of Residues | 3 |
Details | binding site for residue SO4 C 502 |
Chain | Residue |
C | SER163 |
C | ARG164 |
C | ASN249 |
site_id | AE8 |
Number of Residues | 3 |
Details | binding site for residue SO4 C 503 |
Chain | Residue |
C | ASN380 |
C | ARG382 |
C | ARG402 |
site_id | AE9 |
Number of Residues | 2 |
Details | binding site for residue SO4 C 504 |
Chain | Residue |
C | ARG195 |
C | LEU201 |
site_id | AF1 |
Number of Residues | 1 |
Details | binding site for residue SO4 C 505 |
Chain | Residue |
C | ARG195 |
site_id | AF2 |
Number of Residues | 4 |
Details | binding site for residue SO4 C 506 |
Chain | Residue |
C | THR317 |
C | VAL318 |
C | HOH615 |
C | HOH616 |
site_id | AF3 |
Number of Residues | 4 |
Details | binding site for residue SO4 C 507 |
Chain | Residue |
C | THR317 |
C | ASP319 |
C | ARG382 |
C | HOH615 |
site_id | AF4 |
Number of Residues | 2 |
Details | binding site for residue SO4 C 508 |
Chain | Residue |
C | TYR186 |
C | ARG378 |
site_id | AF5 |
Number of Residues | 13 |
Details | binding site for residue COA D 501 |
Chain | Residue |
D | LYS19 |
D | CYS92 |
D | MET127 |
D | GLN149 |
D | ARG210 |
D | THR213 |
D | LEU218 |
D | LEU221 |
D | PHE225 |
D | GLY254 |
D | GLY255 |
D | SER258 |
D | ALA329 |
site_id | AF6 |
Number of Residues | 3 |
Details | binding site for residue SO4 D 502 |
Chain | Residue |
D | SER163 |
D | ARG164 |
D | ASN249 |
site_id | AF7 |
Number of Residues | 2 |
Details | binding site for residue SO4 D 503 |
Chain | Residue |
D | ARG382 |
D | ARG382 |
site_id | AF8 |
Number of Residues | 3 |
Details | binding site for residue SO4 D 504 |
Chain | Residue |
D | ARG382 |
D | ARG383 |
D | ARG402 |
site_id | AF9 |
Number of Residues | 2 |
Details | binding site for residue SO4 D 505 |
Chain | Residue |
D | ARG195 |
D | LEU201 |
site_id | AG1 |
Number of Residues | 2 |
Details | binding site for residue SO4 D 506 |
Chain | Residue |
D | PRO193 |
D | ARG195 |
site_id | AG2 |
Number of Residues | 1 |
Details | binding site for residue SO4 D 507 |
Chain | Residue |
D | ARG378 |
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 | 2 |
Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000250 |
Chain | Residue | Details |
C | CYS92 | |
D | CYS92 |
site_id | SWS_FT_FI2 |
Number of Residues | 4 |
Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU10020 |
Chain | Residue | Details |
C | HIS359 | |
C | CYS389 | |
D | HIS359 | |
D | CYS389 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | CROSSLNK: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup) => ECO:0000269|PubMed:20066036 |
Chain | Residue | Details |
C | LYS189 | |
D | LYS189 |