5EEC
Crystal structure of KPC-2 beta-lactamase in complex with the S02030 boronic acid inhibitor
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 |
| B | 0005829 | cellular_component | cytosol |
| B | 0008800 | molecular_function | beta-lactamase activity |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0017001 | biological_process | antibiotic catabolic process |
| B | 0030655 | biological_process | beta-lactam antibiotic catabolic process |
| B | 0046677 | biological_process | response to antibiotic |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | binding site for residue ZXM A 301 |
| Chain | Residue |
| A | CYS69 |
| A | THR235 |
| A | THR237 |
| A | CYS238 |
| A | GLY239 |
| A | SO4304 |
| A | HOH401 |
| A | HOH411 |
| B | LYS140 |
| A | SER70 |
| A | TRP105 |
| A | SER130 |
| A | ASN132 |
| A | GLU166 |
| A | LEU167 |
| A | LEU169 |
| A | ASN170 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 302 |
| Chain | Residue |
| A | SER59 |
| A | ARG61 |
| A | ALA62 |
| A | GLU63 |
| A | HOH408 |
| A | HOH516 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 303 |
| Chain | Residue |
| A | SER275 |
| A | GLU276 |
| A | ALA277 |
| A | HOH508 |
| A | HOH515 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 304 |
| Chain | Residue |
| A | ARG220 |
| A | HIS274 |
| A | GLU276 |
| A | ZXM301 |
| A | HOH411 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 B 303 |
| Chain | Residue |
| B | SER275 |
| B | GLU276 |
| B | ALA277 |
| B | HOH403 |
| B | HOH432 |
| B | HOH486 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 B 304 |
| Chain | Residue |
| B | SER43 |
| B | ARG61 |
| B | HOH405 |
| B | HOH423 |
| B | HOH479 |
| B | HOH509 |
| B | HOH516 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| 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":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| 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_FI4 |
| Number of Residues | 2 |
| 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_FI5 |
| Number of Residues | 2 |
| 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_FI6 |
| 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"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| 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_FI8 |
| Number of Residues | 2 |
| 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 |
