6B1H
Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by co-crystallization
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 | 13 |
| Details | binding site for residue C8Y A 301 |
| Chain | Residue |
| A | CYS69 |
| A | THR235 |
| A | GLY236 |
| A | THR237 |
| A | HOH522 |
| A | SER70 |
| A | TRP105 |
| A | SER130 |
| A | ASN132 |
| A | LEU167 |
| A | ASN170 |
| A | THR216 |
| A | LYS234 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 302 |
| Chain | Residue |
| A | ARG96 |
| A | ARG164 |
| A | ARG178 |
| A | HOH540 |
| B | LYS140 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 303 |
| Chain | Residue |
| A | ASN100 |
| A | HOH530 |
| B | ARG178 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | binding site for residue ACT A 304 |
| Chain | Residue |
| A | GLY239 |
| A | VAL240 |
| A | GLY242 |
| A | THR243 |
| A | LYS270 |
| A | ASP272 |
| A | LYS273 |
| A | HIS274 |
| A | HOH420 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 B 302 |
| Chain | Residue |
| A | LYS140 |
| B | ARG96 |
| B | THR115 |
| B | ARG178 |
| B | HOH407 |
| B | HOH476 |
| B | HOH506 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 B 303 |
| Chain | Residue |
| B | SER275 |
| B | GLU276 |
| B | ALA277 |
| B | HOH438 |
| B | HOH490 |
| B | HOH550 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | binding site for residue SO4 B 304 |
| Chain | Residue |
| B | LYS111 |
| B | ALA200 |
| B | ALA201 |
| B | TYR241 |
| B | ASN269 |
| B | LYS270 |
| B | HOH403 |
| B | HOH436 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 305 |
| Chain | Residue |
| A | ARG178 |
| B | GLY98 |
| B | ASN100 |
| site_id | AC9 |
| Number of Residues | 9 |
| Details | binding site for residue ACT B 306 |
| Chain | Residue |
| B | GLY239 |
| B | VAL240 |
| B | TYR241 |
| B | GLY242 |
| B | LYS270 |
| B | ASP272 |
| B | LYS273 |
| B | HIS274 |
| B | HOH454 |
| site_id | AD1 |
| Number of Residues | 16 |
| Details | binding site for Di-peptide C8Y B 301 and SER B 70 |
| Chain | Residue |
| B | LEU68 |
| B | CYS69 |
| B | SER71 |
| B | PHE72 |
| B | LYS73 |
| B | TRP105 |
| B | SER130 |
| B | ASN132 |
| B | LEU167 |
| B | ASN170 |
| B | THR216 |
| B | LYS234 |
| B | THR235 |
| B | GLY236 |
| B | THR237 |
| B | HOH401 |
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 |
