2DUB
ENOYL-COA HYDRATASE COMPLEXED WITH OCTANOYL-COA
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004165 | molecular_function | delta(3)-delta(2)-enoyl-CoA isomerase activity |
| A | 0004300 | molecular_function | enoyl-CoA hydratase activity |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005759 | cellular_component | mitochondrial matrix |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006635 | biological_process | fatty acid beta-oxidation |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016836 | molecular_function | hydro-lyase activity |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0043956 | molecular_function | 3-hydroxypropionyl-CoA dehydratase activity |
| A | 0120092 | molecular_function | crotonyl-CoA hydratase activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004165 | molecular_function | delta(3)-delta(2)-enoyl-CoA isomerase activity |
| B | 0004300 | molecular_function | enoyl-CoA hydratase activity |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005759 | cellular_component | mitochondrial matrix |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006635 | biological_process | fatty acid beta-oxidation |
| B | 0016829 | molecular_function | lyase activity |
| B | 0016836 | molecular_function | hydro-lyase activity |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0043956 | molecular_function | 3-hydroxypropionyl-CoA dehydratase activity |
| B | 0120092 | molecular_function | crotonyl-CoA hydratase activity |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004165 | molecular_function | delta(3)-delta(2)-enoyl-CoA isomerase activity |
| C | 0004300 | molecular_function | enoyl-CoA hydratase activity |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0005759 | cellular_component | mitochondrial matrix |
| C | 0006631 | biological_process | fatty acid metabolic process |
| C | 0006635 | biological_process | fatty acid beta-oxidation |
| C | 0016829 | molecular_function | lyase activity |
| C | 0016836 | molecular_function | hydro-lyase activity |
| C | 0016853 | molecular_function | isomerase activity |
| C | 0043956 | molecular_function | 3-hydroxypropionyl-CoA dehydratase activity |
| C | 0120092 | molecular_function | crotonyl-CoA hydratase activity |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0004165 | molecular_function | delta(3)-delta(2)-enoyl-CoA isomerase activity |
| D | 0004300 | molecular_function | enoyl-CoA hydratase activity |
| D | 0005739 | cellular_component | mitochondrion |
| D | 0005759 | cellular_component | mitochondrial matrix |
| D | 0006631 | biological_process | fatty acid metabolic process |
| D | 0006635 | biological_process | fatty acid beta-oxidation |
| D | 0016829 | molecular_function | lyase activity |
| D | 0016836 | molecular_function | hydro-lyase activity |
| D | 0016853 | molecular_function | isomerase activity |
| D | 0043956 | molecular_function | 3-hydroxypropionyl-CoA dehydratase activity |
| D | 0120092 | molecular_function | crotonyl-CoA hydratase activity |
| E | 0003824 | molecular_function | catalytic activity |
| E | 0004165 | molecular_function | delta(3)-delta(2)-enoyl-CoA isomerase activity |
| E | 0004300 | molecular_function | enoyl-CoA hydratase activity |
| E | 0005739 | cellular_component | mitochondrion |
| E | 0005759 | cellular_component | mitochondrial matrix |
| E | 0006631 | biological_process | fatty acid metabolic process |
| E | 0006635 | biological_process | fatty acid beta-oxidation |
| E | 0016829 | molecular_function | lyase activity |
| E | 0016836 | molecular_function | hydro-lyase activity |
| E | 0016853 | molecular_function | isomerase activity |
| E | 0043956 | molecular_function | 3-hydroxypropionyl-CoA dehydratase activity |
| E | 0120092 | molecular_function | crotonyl-CoA hydratase activity |
| F | 0003824 | molecular_function | catalytic activity |
| F | 0004165 | molecular_function | delta(3)-delta(2)-enoyl-CoA isomerase activity |
| F | 0004300 | molecular_function | enoyl-CoA hydratase activity |
| F | 0005739 | cellular_component | mitochondrion |
| F | 0005759 | cellular_component | mitochondrial matrix |
| F | 0006631 | biological_process | fatty acid metabolic process |
| F | 0006635 | biological_process | fatty acid beta-oxidation |
| F | 0016829 | molecular_function | lyase activity |
| F | 0016836 | molecular_function | hydro-lyase activity |
| F | 0016853 | molecular_function | isomerase activity |
| F | 0043956 | molecular_function | 3-hydroxypropionyl-CoA dehydratase activity |
| F | 0120092 | molecular_function | crotonyl-CoA hydratase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE CO8 A 300 |
| Chain | Residue |
| A | LYS56 |
| A | ALA57 |
| A | LEU58 |
| A | LYS92 |
| A | ALA96 |
| A | ALA98 |
| A | ASP99 |
| A | ILE100 |
| A | LYS101 |
| A | LEU139 |
| A | GLY140 |
| A | GLY141 |
| A | GLU144 |
| A | PRO163 |
| A | GLU164 |
| A | LEU167 |
| A | GLY172 |
| A | ARG197 |
| A | HOH301 |
| B | LYS260 |
| B | PHE279 |
| B | LYS282 |
| B | HOH352 |
| E | CO8300 |
| F | LYS282 |
| site_id | AC2 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE CO8 B 300 |
| Chain | Residue |
| B | LYS56 |
| B | ALA57 |
| B | LEU58 |
| B | ALA60 |
| B | LYS92 |
| B | ALA96 |
| B | GLY97 |
| B | ALA98 |
| B | ASP99 |
| B | ILE100 |
| B | LYS101 |
| B | LEU139 |
| B | GLY140 |
| B | GLY141 |
| B | GLU144 |
| B | PRO163 |
| B | GLU164 |
| B | LEU167 |
| B | GLY172 |
| B | ALA173 |
| B | ARG197 |
| C | LYS260 |
| C | PHE279 |
| C | LYS282 |
| site_id | AC3 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE CO8 E 300 |
| Chain | Residue |
| A | CO8300 |
| B | LYS282 |
| E | LYS56 |
| E | ALA57 |
| E | LEU58 |
| E | LYS92 |
| E | ALA96 |
| E | ALA98 |
| E | ASP99 |
| E | ILE100 |
| E | LYS101 |
| E | LEU139 |
| E | GLY140 |
| E | GLY141 |
| E | GLU144 |
| E | PRO163 |
| E | GLU164 |
| E | LEU167 |
| E | GLY172 |
| E | ARG197 |
| E | HOH319 |
| F | LYS260 |
| F | PHE279 |
| F | LYS282 |
| site_id | AC4 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE CO8 F 300 |
| Chain | Residue |
| F | PRO163 |
| F | GLU164 |
| F | LEU167 |
| F | GLY172 |
| F | ARG197 |
| D | PHE279 |
| D | LYS282 |
| F | LYS56 |
| F | LEU58 |
| F | LYS92 |
| F | ALA96 |
| F | ALA98 |
| F | ASP99 |
| F | ILE100 |
| F | LYS101 |
| F | TYR137 |
| F | LEU139 |
| F | GLY141 |
| F | GLU144 |
| site_id | ACA |
| Number of Residues | 2 |
| Details | CATALYTIC RESIDUES OF THE ACTIVE SITE. |
| Chain | Residue |
| A | GLU144 |
| A | GLU164 |
| site_id | ACB |
| Number of Residues | 2 |
| Details | CATALYTIC RESIDUES OF THE ACTIVE SITE. |
| Chain | Residue |
| B | GLU144 |
| B | GLU164 |
| site_id | ACC |
| Number of Residues | 2 |
| Details | CATALYTIC RESIDUES OF THE ACTIVE SITE. |
| Chain | Residue |
| C | GLU144 |
| C | GLU164 |
| site_id | ACD |
| Number of Residues | 2 |
| Details | CATALYTIC RESIDUES OF THE ACTIVE SITE. |
| Chain | Residue |
| D | GLU144 |
| D | GLU164 |
| site_id | ACE |
| Number of Residues | 2 |
| Details | CATALYTIC RESIDUES OF THE ACTIVE SITE. |
| Chain | Residue |
| E | GLU164 |
| E | GLU144 |
| site_id | ACF |
| Number of Residues | 2 |
| Details | CATALYTIC RESIDUES OF THE ACTIVE SITE. |
| Chain | Residue |
| F | GLU144 |
| F | GLU164 |
Functional Information from PROSITE/UniProt
| site_id | PS00166 |
| Number of Residues | 21 |
| Details | ENOYL_COA_HYDRATASE Enoyl-CoA hydratase/isomerase signature. IAaVNGyalGGGcelaMmCDI |
| Chain | Residue | Details |
| A | ILE131-ILE151 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 12 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ALA98 | |
| E | GLY141 | |
| F | ALA98 | |
| F | GLY141 | |
| A | GLY141 | |
| B | ALA98 | |
| B | GLY141 | |
| C | ALA98 | |
| C | GLY141 | |
| D | ALA98 | |
| D | GLY141 | |
| E | ALA98 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | SITE: Important for catalytic activity |
| Chain | Residue | Details |
| A | GLU164 | |
| B | GLU164 | |
| C | GLU164 | |
| D | GLU164 | |
| E | GLU164 | |
| F | GLU164 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:Q8BH95 |
| Chain | Residue | Details |
| A | LYS101 | |
| E | LYS115 | |
| F | LYS101 | |
| F | LYS115 | |
| A | LYS115 | |
| B | LYS101 | |
| B | LYS115 | |
| C | LYS101 | |
| C | LYS115 | |
| D | LYS101 | |
| D | LYS115 | |
| E | LYS101 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q8BH95 |
| Chain | Residue | Details |
| A | LYS204 | |
| B | LYS204 | |
| C | LYS204 | |
| D | LYS204 | |
| E | LYS204 | |
| F | LYS204 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 6 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q8BH95 |
| Chain | Residue | Details |
| A | LYS211 | |
| B | LYS211 | |
| C | LYS211 | |
| D | LYS211 | |
| E | LYS211 | |
| F | LYS211 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| A | ALA98 | |
| A | GLU164 | |
| A | GLY141 | |
| A | GLU144 |
| site_id | CSA10 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| D | GLY172 | |
| D | GLU164 |
| site_id | CSA11 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| E | GLY172 | |
| E | GLU164 |
| site_id | CSA12 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| F | GLY172 | |
| F | GLU164 |
| site_id | CSA13 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| A | GLU164 | |
| A | GLY141 | |
| A | GLU144 |
| site_id | CSA14 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| B | GLU164 | |
| B | GLY141 | |
| B | GLU144 |
| site_id | CSA15 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| C | GLU164 | |
| C | GLY141 | |
| C | GLU144 |
| site_id | CSA16 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| D | GLU164 | |
| D | GLY141 | |
| D | GLU144 |
| site_id | CSA17 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| E | GLU164 | |
| E | GLY141 | |
| E | GLU144 |
| site_id | CSA18 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| F | GLU164 | |
| F | GLY141 | |
| F | GLU144 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| B | ALA98 | |
| B | GLU164 | |
| B | GLY141 | |
| B | GLU144 |
| site_id | CSA3 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| C | ALA98 | |
| C | GLU164 | |
| C | GLY141 | |
| C | GLU144 |
| site_id | CSA4 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| D | ALA98 | |
| D | GLU164 | |
| D | GLY141 | |
| D | GLU144 |
| site_id | CSA5 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| E | ALA98 | |
| E | GLU164 | |
| E | GLY141 | |
| E | GLU144 |
| site_id | CSA6 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| F | ALA98 | |
| F | GLU164 | |
| F | GLY141 | |
| F | GLU144 |
| site_id | CSA7 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| A | GLY172 | |
| A | GLU164 |
| site_id | CSA8 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| B | GLY172 | |
| B | GLU164 |
| site_id | CSA9 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dub |
| Chain | Residue | Details |
| C | GLY172 | |
| C | GLU164 |
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 315 |
| Chain | Residue | Details |
| A | ALA98 | activator, electrostatic stabiliser |
| A | GLY141 | activator, electrostatic stabiliser |
| A | GLU144 | hydrogen bond acceptor, increase basicity |
| A | GLU164 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 315 |
| Chain | Residue | Details |
| B | ALA98 | activator, electrostatic stabiliser |
| B | GLY141 | activator, electrostatic stabiliser |
| B | GLU144 | hydrogen bond acceptor, increase basicity |
| B | GLU164 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA3 |
| Number of Residues | 4 |
| Details | M-CSA 315 |
| Chain | Residue | Details |
| C | ALA98 | activator, electrostatic stabiliser |
| C | GLY141 | activator, electrostatic stabiliser |
| C | GLU144 | hydrogen bond acceptor, increase basicity |
| C | GLU164 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA4 |
| Number of Residues | 4 |
| Details | M-CSA 315 |
| Chain | Residue | Details |
| D | ALA98 | activator, electrostatic stabiliser |
| D | GLY141 | activator, electrostatic stabiliser |
| D | GLU144 | hydrogen bond acceptor, increase basicity |
| D | GLU164 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA5 |
| Number of Residues | 4 |
| Details | M-CSA 315 |
| Chain | Residue | Details |
| E | ALA98 | activator, electrostatic stabiliser |
| E | GLY141 | activator, electrostatic stabiliser |
| E | GLU144 | hydrogen bond acceptor, increase basicity |
| E | GLU164 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA6 |
| Number of Residues | 4 |
| Details | M-CSA 315 |
| Chain | Residue | Details |
| F | ALA98 | activator, electrostatic stabiliser |
| F | GLY141 | activator, electrostatic stabiliser |
| F | GLU144 | hydrogen bond acceptor, increase basicity |
| F | GLU164 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
