6B1F
Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by soaking
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008800 | molecular_function | beta-lactamase 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 | 0008800 | molecular_function | beta-lactamase 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 | 15 |
| Details | binding site for residue C8Y A 301 |
| Chain | Residue |
| A | CYS68 |
| A | THR234 |
| A | GLY235 |
| A | THR236 |
| A | HOH407 |
| A | HOH503 |
| A | HOH518 |
| A | SER69 |
| A | TRP104 |
| A | SER129 |
| A | ASN131 |
| A | LEU166 |
| A | ASN169 |
| A | THR215 |
| A | LYS233 |
| site_id | AC2 |
| Number of Residues | 15 |
| Details | binding site for residue CIT A 302 |
| Chain | Residue |
| A | TYR96 |
| A | GLY97 |
| A | LYS98 |
| A | ASN99 |
| A | ALA100 |
| A | HOH405 |
| A | HOH430 |
| A | HOH470 |
| A | HOH476 |
| A | HOH514 |
| B | ARG95 |
| B | ARG163 |
| B | ARG177 |
| B | EDO303 |
| B | HOH413 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 303 |
| Chain | Residue |
| A | ALA123 |
| A | ALA124 |
| A | GLN127 |
| A | TYR128 |
| A | PRO173 |
| A | HOH472 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 302 |
| Chain | Residue |
| B | ALA123 |
| B | ALA124 |
| B | GLN127 |
| B | TYR128 |
| B | PRO173 |
| B | HOH450 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 303 |
| Chain | Residue |
| A | CIT302 |
| A | HOH405 |
| B | PRO93 |
| B | THR114 |
| B | GLY115 |
| B | ARG177 |
| B | HOH417 |
| site_id | AC6 |
| Number of Residues | 17 |
| Details | binding site for Di-peptide C8Y B 301 and SER B 69 |
| Chain | Residue |
| B | LEU67 |
| B | CYS68 |
| B | SER70 |
| B | PHE71 |
| B | LYS72 |
| B | TRP104 |
| B | SER129 |
| B | ASN131 |
| B | ASN169 |
| B | THR215 |
| B | LYS233 |
| B | THR234 |
| B | GLY235 |
| B | THR236 |
| B | HOH405 |
| B | HOH445 |
| B | HOH550 |
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 |
