6QWC
Crystal structure of KPC-4 complexed with relebactam (1 hour soak)
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 | 6 |
| Details | binding site for residue SO4 A 301 |
| Chain | Residue |
| A | SER275 |
| A | GLU276 |
| A | ALA277 |
| A | HOH402 |
| A | HOH466 |
| A | HOH507 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 302 |
| Chain | Residue |
| A | HOH408 |
| A | HOH411 |
| A | GLY239 |
| A | LYS273 |
| A | HIS274 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 303 |
| Chain | Residue |
| A | GLN86 |
| A | ARG104 |
| A | TRP105 |
| A | HOH446 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 304 |
| Chain | Residue |
| A | GLN86 |
| A | GLN87 |
| A | ALA88 |
| A | ARG104 |
| A | TRP105 |
| A | MK7310 |
| A | HOH414 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 305 |
| Chain | Residue |
| A | ASP92 |
| A | ARG178 |
| A | HOH459 |
| A | HOH509 |
| A | HOH565 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | binding site for residue SO4 A 306 |
| Chain | Residue |
| A | ILE173 |
| A | ILE173 |
| A | TYR241 |
| A | TYR241 |
| A | LYS270 |
| A | LYS270 |
| A | HOH416 |
| A | HOH416 |
| A | HOH484 |
| A | HOH484 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 307 |
| Chain | Residue |
| A | THR26 |
| A | ARG184 |
| A | PRO226 |
| A | ALA227 |
| A | HOH405 |
| A | HOH514 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 A 308 |
| Chain | Residue |
| A | ILE108 |
| A | TYR112 |
| A | MET117 |
| A | GLU121 |
| A | ALA146 |
| A | ASP163 |
| A | HOH410 |
| A | HOH550 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 309 |
| Chain | Residue |
| A | GLN205 |
| A | LYS212 |
| A | ALA230 |
| A | TRP251 |
| A | HOH485 |
| site_id | AD1 |
| Number of Residues | 18 |
| Details | binding site for residue MK7 A 310 |
| Chain | Residue |
| A | CYS69 |
| A | SER70 |
| A | LYS73 |
| A | ALA88 |
| A | TRP105 |
| A | SER130 |
| A | ASN132 |
| A | THR216 |
| A | LYS234 |
| A | THR235 |
| A | GLY236 |
| A | THR237 |
| A | CYS238 |
| A | SO4304 |
| A | HOH417 |
| A | HOH438 |
| A | HOH486 |
| A | HOH531 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI2 |
| 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_FI3 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"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 |
