4ZJ1
Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli : V216AcrF mutant
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 401 |
| Chain | Residue |
| A | ARG43 |
| A | GLY156 |
| A | ASP157 |
| A | HIS158 |
| A | ASN175 |
| A | ALA185 |
| A | HOH563 |
| A | HOH578 |
| A | HOH601 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | binding site for residue MES A 402 |
| Chain | Residue |
| A | SER130 |
| A | 4OU216 |
| A | LYS234 |
| A | SER235 |
| A | GLY236 |
| A | ALA237 |
| A | ARG244 |
| A | MET272 |
| A | HOH510 |
| A | HOH531 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue PEG A 403 |
| Chain | Residue |
| A | ARG222 |
| A | LEU225 |
| A | PRO226 |
| A | HOH626 |
| A | HOH812 |
Functional Information from PROSITE/UniProt
| site_id | PS00146 |
| Number of Residues | 16 |
| Details | BETA_LACTAMASE_A Beta-lactamase class-A active site. FpMMSTfKvllCGAVL |
| Chain | Residue | Details |
| A | PHE66-LEU81 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Acyl-ester intermediate |
| Chain | Residue | Details |
| A | SER70 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | GLU168 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | LYS234 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 2 |
| Chain | Residue | Details |
| A | SER70 | electrostatic stabiliser |
| A | LYS73 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | SER130 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | GLU166 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | LYS234 | electrostatic stabiliser |
| A | ALA237 | electrostatic stabiliser, hydrogen bond donor |
