9V67
The crystal structure of a ThDP-dependent enzyme PpBFD
Functional Information from PROSITE/UniProt
| site_id | PS00187 |
| Number of Residues | 20 |
| Details | TPP_ENZYMES Thiamine pyrophosphate enzymes signature. IGvqlaePerqvIaViGDGS |
| Chain | Residue | Details |
| A | ILE411-SER430 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 249 |
| Details | Region: {"description":"Thiamine pyrophosphate binding"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 24 |
| Details | Binding site: {} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 220 |
| Chain | Residue | Details |
| A | GLY25 | electrostatic stabiliser, hydrogen bond donor |
| A | SER26 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor |
| A | GLU28 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | GLU47 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | HIS70 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| A | HIS281 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | GLY401 | electrostatic stabiliser, hydrogen bond acceptor |
| site_id | MCSA2 |
| Number of Residues | 7 |
| Details | M-CSA 220 |
| Chain | Residue | Details |
| B | GLY25 | electrostatic stabiliser, hydrogen bond donor |
| B | SER26 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor |
| B | GLU28 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | GLU47 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | HIS70 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| B | HIS281 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | GLY401 | electrostatic stabiliser, hydrogen bond acceptor |
| site_id | MCSA3 |
| Number of Residues | 7 |
| Details | M-CSA 220 |
| Chain | Residue | Details |
| C | GLY25 | electrostatic stabiliser, hydrogen bond donor |
| C | SER26 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor |
| C | GLU28 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | GLU47 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | HIS70 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| C | HIS281 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | GLY401 | electrostatic stabiliser, hydrogen bond acceptor |
| site_id | MCSA4 |
| Number of Residues | 7 |
| Details | M-CSA 220 |
| Chain | Residue | Details |
| D | GLY25 | electrostatic stabiliser, hydrogen bond donor |
| D | SER26 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor |
| D | GLU28 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | GLU47 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | HIS70 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| D | HIS281 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | GLY401 | electrostatic stabiliser, hydrogen bond acceptor |
