1NXY
Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2)
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0005515 | molecular_function | protein binding |
A | 0008800 | molecular_function | beta-lactamase activity |
A | 0016787 | molecular_function | hydrolase activity |
A | 0017001 | biological_process | antibiotic catabolic process |
A | 0030655 | biological_process | beta-lactam antibiotic catabolic process |
A | 0046677 | biological_process | response to antibiotic |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE K A 1 |
Chain | Residue |
A | MET211 |
A | ALA213 |
A | ASP214 |
A | ASP233 |
site_id | AC2 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE SM2 A 500 |
Chain | Residue |
A | HIS158 |
A | GLU166 |
A | ASN170 |
A | SER235 |
A | GLY236 |
A | ALA237 |
A | ARG244 |
A | HOH556 |
A | HOH815 |
A | HOH816 |
A | HOH868 |
A | HOH904 |
A | HOH905 |
A | HOH906 |
A | HOH913 |
A | HOH926 |
A | MET69 |
A | SER70 |
A | TYR105 |
A | SER130 |
A | ASN132 |
site_id | AC3 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE SM2 A 501 |
Chain | Residue |
A | ARG161 |
A | ASN175 |
A | ASP176 |
A | GLU177 |
A | ARG178 |
A | ARG241 |
A | GLY267 |
A | SER268 |
A | GLN269 |
A | HOH847 |
A | HOH903 |
A | HOH925 |
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 | CSA1 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1btl |
Chain | Residue | Details |
A | GLU166 | |
A | LYS73 | |
A | SER130 | |
A | SER70 |
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 |