1CI8
ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI: AN ESTERASE WITH (BETA)-LACTAMASE FOLD.
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE IPA A 393 |
| Chain | Residue |
| A | SER75 |
| A | TYR133 |
| A | LEU135 |
| A | ASP150 |
| A | ILE152 |
| A | ALA275 |
| A | HOH535 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE IPA A 394 |
| Chain | Residue |
| A | ASP156 |
| A | GLU266 |
| A | ARG292 |
| A | LEU154 |
| A | ARG155 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IPA A 395 |
| Chain | Residue |
| A | SER355 |
| A | TRP356 |
| A | VAL366 |
| A | LEU368 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IPA B 393 |
| Chain | Residue |
| B | LEU94 |
| B | ALA95 |
| B | ARG102 |
| B | TRP103 |
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 | CSA1 |
| Number of Residues | 6 |
| Details | a catalytic site defined by CSA, PubMed 11847270, 11472796 |
| Chain | Residue | Details |
| A | TYR181 | |
| A | SER75 | |
| A | SER75 | |
| A | TRP348 | |
| A | LYS78 | |
| A | VAL351 |
| site_id | CSA2 |
| Number of Residues | 6 |
| Details | a catalytic site defined by CSA, PubMed 11847270, 11472796 |
| Chain | Residue | Details |
| B | TYR181 | |
| B | SER75 | |
| B | SER75 | |
| B | TRP348 | |
| B | LYS78 | |
| B | VAL351 |
| 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 |
