2J5I
Crystal Structure of Hydroxycinnamoyl-CoA Hydratase-Lyase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0008300 | biological_process | isoprenoid catabolic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0050547 | molecular_function | vanillin synthase activity |
| A | 0050548 | molecular_function | trans-feruloyl-CoA hydratase activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0008300 | biological_process | isoprenoid catabolic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0050547 | molecular_function | vanillin synthase activity |
| B | 0050548 | molecular_function | trans-feruloyl-CoA hydratase activity |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0008300 | biological_process | isoprenoid catabolic process |
| C | 0016829 | molecular_function | lyase activity |
| C | 0050547 | molecular_function | vanillin synthase activity |
| C | 0050548 | molecular_function | trans-feruloyl-CoA hydratase activity |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0008300 | biological_process | isoprenoid catabolic process |
| D | 0016829 | molecular_function | lyase activity |
| D | 0050547 | molecular_function | vanillin synthase activity |
| D | 0050548 | molecular_function | trans-feruloyl-CoA hydratase activity |
| E | 0003824 | molecular_function | catalytic activity |
| E | 0008300 | biological_process | isoprenoid catabolic process |
| E | 0016829 | molecular_function | lyase activity |
| E | 0050547 | molecular_function | vanillin synthase activity |
| E | 0050548 | molecular_function | trans-feruloyl-CoA hydratase activity |
| F | 0003824 | molecular_function | catalytic activity |
| F | 0008300 | biological_process | isoprenoid catabolic process |
| F | 0016829 | molecular_function | lyase activity |
| F | 0050547 | molecular_function | vanillin synthase activity |
| F | 0050548 | molecular_function | trans-feruloyl-CoA hydratase activity |
| G | 0003824 | molecular_function | catalytic activity |
| G | 0008300 | biological_process | isoprenoid catabolic process |
| G | 0016829 | molecular_function | lyase activity |
| G | 0050547 | molecular_function | vanillin synthase activity |
| G | 0050548 | molecular_function | trans-feruloyl-CoA hydratase activity |
| H | 0003824 | molecular_function | catalytic activity |
| H | 0008300 | biological_process | isoprenoid catabolic process |
| H | 0016829 | molecular_function | lyase activity |
| H | 0050547 | molecular_function | vanillin synthase activity |
| H | 0050548 | molecular_function | trans-feruloyl-CoA hydratase activity |
| I | 0003824 | molecular_function | catalytic activity |
| I | 0008300 | biological_process | isoprenoid catabolic process |
| I | 0016829 | molecular_function | lyase activity |
| I | 0050547 | molecular_function | vanillin synthase activity |
| I | 0050548 | molecular_function | trans-feruloyl-CoA hydratase activity |
| J | 0003824 | molecular_function | catalytic activity |
| J | 0008300 | biological_process | isoprenoid catabolic process |
| J | 0016829 | molecular_function | lyase activity |
| J | 0050547 | molecular_function | vanillin synthase activity |
| J | 0050548 | molecular_function | trans-feruloyl-CoA hydratase activity |
| K | 0003824 | molecular_function | catalytic activity |
| K | 0008300 | biological_process | isoprenoid catabolic process |
| K | 0016829 | molecular_function | lyase activity |
| K | 0050547 | molecular_function | vanillin synthase activity |
| K | 0050548 | molecular_function | trans-feruloyl-CoA hydratase activity |
| L | 0003824 | molecular_function | catalytic activity |
| L | 0008300 | biological_process | isoprenoid catabolic process |
| L | 0016829 | molecular_function | lyase activity |
| L | 0050547 | molecular_function | vanillin synthase activity |
| L | 0050548 | molecular_function | trans-feruloyl-CoA hydratase activity |
Functional Information from PROSITE/UniProt
| site_id | PS00166 |
| Number of Residues | 21 |
| Details | ENOYL_COA_HYDRATASE Enoyl-CoA hydratase/isomerase signature. IAmVNGwcfGGGfsplVaCDL |
| Chain | Residue | Details |
| B | ILE110-LEU130 | |
| I | ILE110-LEU130 | |
| A | ILE110-LEU130 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 9 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:18479250, ECO:0007744|PDB:2VSS, ECO:0007744|PDB:2VSU |
| Chain | Residue | Details |
| I | LYS29 | |
| C | LYS29 | |
| C | ALA68 | |
| C | MET70 | |
| C | LEU72 | |
| C | TYR75 | |
| C | GLY120 | |
| C | SER142 | |
| C | GLY151 | |
| C | TYR239 | |
| D | LYS29 | |
| I | ALA68 | |
| D | ALA68 | |
| D | MET70 | |
| D | LEU72 | |
| D | TYR75 | |
| D | GLY120 | |
| D | SER142 | |
| D | GLY151 | |
| D | TYR239 | |
| E | LYS29 | |
| E | ALA68 | |
| I | MET70 | |
| E | MET70 | |
| E | LEU72 | |
| E | TYR75 | |
| E | GLY120 | |
| E | SER142 | |
| E | GLY151 | |
| E | TYR239 | |
| F | LYS29 | |
| F | ALA68 | |
| F | MET70 | |
| I | LEU72 | |
| F | LEU72 | |
| F | TYR75 | |
| F | GLY120 | |
| F | SER142 | |
| F | GLY151 | |
| F | TYR239 | |
| G | LYS29 | |
| G | ALA68 | |
| G | MET70 | |
| G | LEU72 | |
| I | TYR75 | |
| G | TYR75 | |
| G | GLY120 | |
| G | SER142 | |
| G | GLY151 | |
| G | TYR239 | |
| H | LYS29 | |
| H | ALA68 | |
| H | MET70 | |
| H | LEU72 | |
| H | TYR75 | |
| I | GLY120 | |
| H | GLY120 | |
| H | SER142 | |
| H | GLY151 | |
| H | TYR239 | |
| J | LYS29 | |
| J | ALA68 | |
| J | MET70 | |
| J | LEU72 | |
| J | TYR75 | |
| J | GLY120 | |
| I | SER142 | |
| J | SER142 | |
| J | GLY151 | |
| J | TYR239 | |
| K | LYS29 | |
| K | ALA68 | |
| K | MET70 | |
| K | LEU72 | |
| K | TYR75 | |
| K | GLY120 | |
| K | SER142 | |
| I | GLY151 | |
| K | GLY151 | |
| K | TYR239 | |
| L | LYS29 | |
| L | ALA68 | |
| L | MET70 | |
| L | LEU72 | |
| L | TYR75 | |
| L | GLY120 | |
| L | SER142 | |
| L | GLY151 | |
| I | TYR239 | |
| L | TYR239 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:18479250, ECO:0007744|PDB:2VSS |
| Chain | Residue | Details |
| I | TRP146 | |
| L | TRP146 | |
| C | TRP146 | |
| D | TRP146 | |
| E | TRP146 | |
| F | TRP146 | |
| G | TRP146 | |
| H | TRP146 | |
| J | TRP146 | |
| K | TRP146 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 347 |
| Chain | Residue | Details |
| I | MET70 | electrostatic stabiliser, hydrogen bond donor |
| I | TYR75 | electrostatic stabiliser, hydrogen bond donor, steric role |
| I | GLY120 | electrostatic stabiliser, hydrogen bond donor |
| I | GLU143 | activator, proton acceptor, proton donor |
| I | TYR239 | electrostatic stabiliser, hydrogen bond donor, steric role |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 347 |
| Chain | Residue | Details |
| C | MET70 | electrostatic stabiliser, hydrogen bond donor |
| C | TYR75 | electrostatic stabiliser, hydrogen bond donor, steric role |
| C | GLY120 | electrostatic stabiliser, hydrogen bond donor |
| C | GLU143 | activator, proton acceptor, proton donor |
| C | TYR239 | electrostatic stabiliser, hydrogen bond donor, steric role |
| site_id | MCSA3 |
| Number of Residues | 5 |
| Details | M-CSA 347 |
| Chain | Residue | Details |
| D | MET70 | electrostatic stabiliser, hydrogen bond donor |
| D | TYR75 | electrostatic stabiliser, hydrogen bond donor, steric role |
| D | GLY120 | electrostatic stabiliser, hydrogen bond donor |
| D | GLU143 | activator, proton acceptor, proton donor |
| D | TYR239 | electrostatic stabiliser, hydrogen bond donor, steric role |
| site_id | MCSA4 |
| Number of Residues | 5 |
| Details | M-CSA 347 |
| Chain | Residue | Details |
| E | MET70 | electrostatic stabiliser, hydrogen bond donor |
| E | TYR75 | electrostatic stabiliser, hydrogen bond donor, steric role |
| E | GLY120 | electrostatic stabiliser, hydrogen bond donor |
| E | GLU143 | activator, proton acceptor, proton donor |
| E | TYR239 | electrostatic stabiliser, hydrogen bond donor, steric role |
| site_id | MCSA5 |
| Number of Residues | 5 |
| Details | M-CSA 347 |
| Chain | Residue | Details |
| F | MET70 | electrostatic stabiliser, hydrogen bond donor |
| F | TYR75 | electrostatic stabiliser, hydrogen bond donor, steric role |
| F | GLY120 | electrostatic stabiliser, hydrogen bond donor |
| F | GLU143 | activator, proton acceptor, proton donor |
| F | TYR239 | electrostatic stabiliser, hydrogen bond donor, steric role |
| site_id | MCSA6 |
| Number of Residues | 5 |
| Details | M-CSA 347 |
| Chain | Residue | Details |
| G | MET70 | electrostatic stabiliser, hydrogen bond donor |
| G | TYR75 | electrostatic stabiliser, hydrogen bond donor, steric role |
| G | GLY120 | electrostatic stabiliser, hydrogen bond donor |
| G | GLU143 | activator, proton acceptor, proton donor |
| G | TYR239 | electrostatic stabiliser, hydrogen bond donor, steric role |
| site_id | MCSA7 |
| Number of Residues | 5 |
| Details | M-CSA 347 |
| Chain | Residue | Details |
| H | MET70 | electrostatic stabiliser, hydrogen bond donor |
| H | TYR75 | electrostatic stabiliser, hydrogen bond donor, steric role |
| H | GLY120 | electrostatic stabiliser, hydrogen bond donor |
| H | GLU143 | activator, proton acceptor, proton donor |
| H | TYR239 | electrostatic stabiliser, hydrogen bond donor, steric role |
| site_id | MCSA8 |
| Number of Residues | 5 |
| Details | M-CSA 347 |
| Chain | Residue | Details |
| J | MET70 | electrostatic stabiliser, hydrogen bond donor |
| J | TYR75 | electrostatic stabiliser, hydrogen bond donor, steric role |
| J | GLY120 | electrostatic stabiliser, hydrogen bond donor |
| J | GLU143 | activator, proton acceptor, proton donor |
| J | TYR239 | electrostatic stabiliser, hydrogen bond donor, steric role |
| site_id | MCSA9 |
| Number of Residues | 5 |
| Details | M-CSA 347 |
| Chain | Residue | Details |
| K | MET70 | electrostatic stabiliser, hydrogen bond donor |
| K | TYR75 | electrostatic stabiliser, hydrogen bond donor, steric role |
| K | GLY120 | electrostatic stabiliser, hydrogen bond donor |
| K | GLU143 | activator, proton acceptor, proton donor |
| K | TYR239 | electrostatic stabiliser, hydrogen bond donor, steric role |
| site_id | MCSA10 |
| Number of Residues | 5 |
| Details | M-CSA 347 |
| Chain | Residue | Details |
| L | MET70 | electrostatic stabiliser, hydrogen bond donor |
| L | TYR75 | electrostatic stabiliser, hydrogen bond donor, steric role |
| L | GLY120 | electrostatic stabiliser, hydrogen bond donor |
| L | GLU143 | activator, proton acceptor, proton donor |
| L | TYR239 | electrostatic stabiliser, hydrogen bond donor, steric role |
