PDB entry 6j8q

View 6j8q on RCSB PDB site
Description: Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
Class: hydrolase
Keywords: Beta-lactamase, Serine-beta-lactamase KPC-2, KPC-2, Carbapenemase, HYDROLASE
Deposited on 2019-01-21, released 2019-07-17
The last revision prior to the SCOPe 2.07 freeze date was dated 2019-07-17, with a file datestamp of 2019-07-12.
Experiment type: XRAY
Resolution: 1.79 Å
R-factor: N/A
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Serine Beta-Lactamase KPC-2
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: blaKPC2
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q93LQ9 (1-264)
      • expression tag (0)
    Domains in SCOPe 2.07: d6j8qa1, d6j8qa2
  • Chain 'B':
    Compound: Serine Beta-Lactamase KPC-2
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: blaKPC2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6j8qb_
  • Chain 'C':
    Compound: Serine Beta-Lactamase KPC-2
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: blaKPC2
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q93LQ9 (1-264)
      • expression tag (0)
    Domains in SCOPe 2.07: d6j8qc1, d6j8qc2
  • Chain 'D':
    Compound: Serine Beta-Lactamase KPC-2
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: blaKPC2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6j8qd_
  • Heterogens: BHU, PEG, ACY, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >6j8qA (A:)
    stnlvaepfakleqdfggsigvyamdtgsgatvsyraeerfplcssfkgflaaavlarsq
    qqaglldtpirygknalvpwspisekylttgmtvaelsaaavqysdnaaanlllkelggp
    agltafmrsigdttfrldrwelelnsaipgdardtsspravteslqkltlgsalaapqrq
    qfvdwlkgnttgnhriraavpadwavgdktgtcgvygtandyavvwptgrapivlavytr
    apnkddkhseaviaaaarlaleglg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6j8qB (B:)
    stnlvaepfakleqdfggsigvyamdtgsgatvsyraeerfplcssfkgflaaavlarsq
    qqaglldtpirygknalvpwspisekylttgmtvaelsaaavqysdnaaanlllkelggp
    agltafmrsigdttfrldrwelelnsaipgdardtsspravteslqkltlgsalaapqrq
    qfvdwlkgnttgnhriraavpadwavgdktgtcgvygtandyavvwptgrapivlavytr
    apnkddkhseaviaaaarlaleglg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6j8qB (B:)
    nlvaepfakleqdfggsigvyamdtgsgatvsyraeerfplcssfkgflaaavlarsqqq
    aglldtpirygknalvpwspisekylttgmtvaelsaaavqysdnaaanlllkelggpag
    ltafmrsigdttfrldrwelelnsaipgdardtsspravteslqkltlgsalaapqrqqf
    vdwlkgnttgnhriraavpadwavgdktgtcgvygtandyavvwptgrapivlavytrap
    nkddkhseaviaaaarlaleglg
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >6j8qC (C:)
    stnlvaepfakleqdfggsigvyamdtgsgatvsyraeerfplcssfkgflaaavlarsq
    qqaglldtpirygknalvpwspisekylttgmtvaelsaaavqysdnaaanlllkelggp
    agltafmrsigdttfrldrwelelnsaipgdardtsspravteslqkltlgsalaapqrq
    qfvdwlkgnttgnhriraavpadwavgdktgtcgvygtandyavvwptgrapivlavytr
    apnkddkhseaviaaaarlaleglg
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6j8qD (D:)
    stnlvaepfakleqdfggsigvyamdtgsgatvsyraeerfplcssfkgflaaavlarsq
    qqaglldtpirygknalvpwspisekylttgmtvaelsaaavqysdnaaanlllkelggp
    agltafmrsigdttfrldrwelelnsaipgdardtsspravteslqkltlgsalaapqrq
    qfvdwlkgnttgnhriraavpadwavgdktgtcgvygtandyavvwptgrapivlavytr
    apnkddkhseaviaaaarlaleglg
    

    Sequence, based on observed residues (ATOM records): (download)
    >6j8qD (D:)
    epfakleqdfggsigvyamdtgsgatvsyraeerfplcssfkgflaaavlarsqqqagll
    dtpirygknalvpwspisekylttgmtvaelsaaavqysdnaaanlllkelggpagltaf
    mrsigdttfrldrwelelnsaipgdardtsspravteslqkltlgsalaapqrqqfvdwl
    kgnttgnhriraavpadwavgdktgtcgvygtandyavvwptgrapivlavytrapnkdd
    khseaviaaaarlaleglg