6TD0
Crystal structure of vaborbactam bound to KPC-2
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005829 | cellular_component | cytosol |
| 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 | 14 |
| Details | binding site for residue 4D6 A 301 |
| Chain | Residue |
| A | CYS69 |
| A | GLY236 |
| A | THR237 |
| A | HOH412 |
| A | HOH483 |
| A | HOH504 |
| A | SER70 |
| A | TRP105 |
| A | SER130 |
| A | ASN132 |
| A | LEU167 |
| A | ASN170 |
| A | ARG220 |
| A | THR235 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 302 |
| Chain | Residue |
| A | GLN205 |
| A | VAL208 |
| A | LYS212 |
| A | ALA230 |
| A | TRP251 |
| A | HOH443 |
| A | HOH493 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 303 |
| Chain | Residue |
| A | ARG65 |
| A | PRO67 |
| A | PRO174 |
| A | GLY175 |
| A | ARG266 |
| A | HOH401 |
| A | HOH418 |
| A | HOH419 |
| A | HOH455 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 304 |
| Chain | Residue |
| A | SER275 |
| A | GLU276 |
| A | ALA277 |
| A | HOH408 |
| A | HOH456 |
| A | HOH535 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | binding site for residue SO4 A 305 |
| Chain | Residue |
| A | ILE173 |
| A | ILE173 |
| A | TYR241 |
| A | TYR241 |
| A | LYS270 |
| A | LYS270 |
| A | HOH430 |
| A | HOH430 |
| A | HOH479 |
| A | HOH479 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 306 |
| Chain | Residue |
| A | ARG61 |
| A | THR254 |
| A | GLY255 |
| A | HOH439 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 307 |
| Chain | Residue |
| A | ASP92 |
| A | ARG178 |
| A | HOH527 |
| A | HOH593 |
| A | HOH631 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 308 |
| Chain | Residue |
| A | LYS273 |
| A | HIS274 |
| A | HOH427 |
| A | HOH488 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Nucleophile; acyl-ester intermediate","evidences":[{"source":"PubMed","id":"33257320","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6Z23","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6Z24","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"UniProtKB","id":"P62593","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"P62593","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"28388065","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33257320","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5UJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6Z23","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6Z24","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"28388065","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5UJ3","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"33257320","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6Z24","evidenceCode":"ECO:0000312"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"28388065","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33257320","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5UJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6Z23","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"33257320","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6Z23","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6Z24","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"28388065","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5UJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6Z24","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
