6B1X
Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 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 | 18 |
| Details | binding site for residue C9D A 301 |
| Chain | Residue |
| A | CYS69 |
| A | GLY236 |
| A | THR237 |
| A | CYS238 |
| A | HOH405 |
| A | HOH424 |
| A | HOH537 |
| A | HOH538 |
| A | HOH572 |
| A | HOH580 |
| A | SER70 |
| A | TRP105 |
| A | SER130 |
| A | ASN132 |
| A | ASN170 |
| A | THR216 |
| A | LYS234 |
| A | THR235 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | binding site for residue CIT A 302 |
| Chain | Residue |
| A | TYR97 |
| A | GLY98 |
| A | ASN100 |
| A | ALA101 |
| A | HOH401 |
| A | HOH404 |
| A | HOH493 |
| B | ARG96 |
| B | ARG164 |
| B | ARG178 |
| B | EDO304 |
| B | HOH420 |
| B | HOH428 |
| B | HOH483 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 303 |
| Chain | Residue |
| A | ALA124 |
| A | ALA125 |
| A | GLN128 |
| A | TYR129 |
| A | PRO174 |
| A | HOH505 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 304 |
| Chain | Residue |
| A | ALA82 |
| A | GLN85 |
| A | GLN86 |
| A | VAL103 |
| A | PRO104 |
| A | HOH414 |
| A | HOH484 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 305 |
| Chain | Residue |
| A | ARG96 |
| A | THR115 |
| B | ASN136 |
| B | TRP165 |
| B | CIT302 |
| B | HOH497 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 306 |
| Chain | Residue |
| A | GLN205 |
| A | VAL208 |
| A | LYS212 |
| A | TRP251 |
| A | HOH586 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 307 |
| Chain | Residue |
| A | PRO107 |
| A | ARG204 |
| A | HOH403 |
| site_id | AC8 |
| Number of Residues | 13 |
| Details | binding site for residue CIT B 302 |
| Chain | Residue |
| A | PRO94 |
| A | ARG96 |
| A | THR115 |
| A | GLY116 |
| A | MET117 |
| A | THR118 |
| A | ARG178 |
| A | EDO305 |
| B | ASN100 |
| B | ALA101 |
| B | LYS140 |
| B | HOH491 |
| B | HOH537 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 303 |
| Chain | Residue |
| B | ALA124 |
| B | ALA125 |
| B | GLN128 |
| B | TYR129 |
| B | ILE173 |
| B | PRO174 |
| B | HOH492 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 304 |
| Chain | Residue |
| A | CIT302 |
| B | PRO94 |
| B | THR115 |
| B | ARG178 |
| B | EDO305 |
| B | HOH420 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 305 |
| Chain | Residue |
| B | TYR112 |
| B | THR115 |
| B | GLU121 |
| B | ARG178 |
| B | EDO304 |
| B | HOH407 |
| site_id | AD3 |
| Number of Residues | 22 |
| Details | binding site for Di-peptide C9D B 301 and SER B 70 |
| Chain | Residue |
| B | LEU167 |
| B | ASN170 |
| B | THR216 |
| B | LYS234 |
| B | THR235 |
| B | GLY236 |
| B | THR237 |
| B | CYS238 |
| B | HOH412 |
| B | HOH425 |
| B | HOH495 |
| B | HOH514 |
| B | HOH526 |
| B | HOH554 |
| B | LEU68 |
| B | CYS69 |
| B | SER71 |
| B | PHE72 |
| B | LYS73 |
| B | TRP105 |
| B | SER130 |
| B | ASN132 |
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 |
