1CI9
DFP-INHIBITED ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE DFP A 401 |
| Chain | Residue |
| A | ALA74 |
| A | SER75 |
| A | LEU135 |
| A | TYR181 |
| A | ALA275 |
| A | TRP348 |
| A | GLY350 |
| A | VAL351 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE DFP B 401 |
| Chain | Residue |
| B | SER75 |
| B | TYR133 |
| B | LEU135 |
| B | ILE152 |
| B | TYR181 |
| B | GLY350 |
| B | VAL351 |
| B | ALA74 |
Functional Information from PROSITE/UniProt
| site_id | PS00146 |
| Number of Residues | 16 |
| Details | BETA_LACTAMASE_A Beta-lactamase class-A active site. FrLASVtKpivALAVL |
| Chain | Residue | Details |
| A | PHE71-LEU86 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Acyl-ester intermediate |
| Chain | Residue | Details |
| A | SER75 | |
| B | SER75 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 10 |
| Details | M-CSA 466 |
| Chain | Residue | Details |
| A | SER75 | electrostatic stabiliser |
| A | VAL351 | electrostatic stabiliser, steric role |
| A | LYS78 | activator, electrostatic stabiliser, proton shuttle (general acid/base) |
| A | TYR133 | hydrogen bond acceptor, hydrogen bond donor, proton shuttle (general acid/base) |
| A | LEU135 | steric role |
| A | ILE152 | steric role |
| A | TYR181 | activator, proton shuttle (general acid/base) |
| A | ASP186 | hydrogen bond acceptor, proton shuttle (general acid/base) |
| A | HIS253 | steric role |
| A | TRP348 | activator, electrostatic stabiliser, steric role |
| site_id | MCSA2 |
| Number of Residues | 10 |
| Details | M-CSA 466 |
| Chain | Residue | Details |
| B | SER75 | electrostatic stabiliser |
| B | VAL351 | electrostatic stabiliser, steric role |
| B | LYS78 | activator, electrostatic stabiliser, proton shuttle (general acid/base) |
| B | TYR133 | hydrogen bond acceptor, hydrogen bond donor, proton shuttle (general acid/base) |
| B | LEU135 | steric role |
| B | ILE152 | steric role |
| B | TYR181 | activator, proton shuttle (general acid/base) |
| B | ASP186 | hydrogen bond acceptor, proton shuttle (general acid/base) |
| B | HIS253 | steric role |
| B | TRP348 | activator, electrostatic stabiliser, steric role |
