PDB entry 6jn3

View 6jn3 on RCSB PDB site
Description: Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
Class: hydrolase
Keywords: Beta-lactamase, Serine-beta-lactamase KPC-2, KPC-2, Carbapenemase, HYDROLASE
Deposited on 2019-03-13, released 2019-07-17
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-08-21, with a file datestamp of 2019-08-16.
Experiment type: XRAY
Resolution: 2.22 Å
R-factor: N/A
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Serine Beta-Lactamase KPC-2
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: KPC-2
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q93LQ9 (1-264)
      • expression tag (0)
    Domains in SCOPe 2.08: d6jn3a1, d6jn3a2
  • Chain 'B':
    Compound: Serine Beta-Lactamase KPC-2
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: KPC-2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6jn3b_
  • Chain 'C':
    Compound: Serine Beta-Lactamase KPC-2
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: KPC-2
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q93LQ9 (1-264)
      • expression tag (0)
    Domains in SCOPe 2.08: d6jn3c1, d6jn3c2
  • Chain 'D':
    Compound: Serine Beta-Lactamase KPC-2
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: KPC-2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6jn3d_
  • Heterogens: BX6, PEG, ACY, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6jn3A (A:)
stnlvaepfakleqdfggsigvyamdtgsgatvsyraeerfplcssfkgflaaavlarsq
qqaglldtpirygknalvpwspisekylttgmtvaelsaaavqysdnaaanlllkelggp
agltafmrsigdttfrldrwelelnsaipgdardtsspravteslqkltlgsalaapqrq
qfvdwlkgnttgnhriraavpadwavgdktgtcgvygtandyavvwptgrapivlavytr
apnkddkhseaviaaaarlaleglg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6jn3B (B:)
stnlvaepfakleqdfggsigvyamdtgsgatvsyraeerfplcssfkgflaaavlarsq
qqaglldtpirygknalvpwspisekylttgmtvaelsaaavqysdnaaanlllkelggp
agltafmrsigdttfrldrwelelnsaipgdardtsspravteslqkltlgsalaapqrq
qfvdwlkgnttgnhriraavpadwavgdktgtcgvygtandyavvwptgrapivlavytr
apnkddkhseaviaaaarlaleglg

    Sequence, based on observed residues (ATOM records): (download) 
    >6jn3B (B:)
tnlvaepfakleqdfggsigvyamdtgsgatvsyraeerfplcssfkgflaaavlarsqq
qaglldtpirygknalvpwspisekylttgmtvaelsaaavqysdnaaanlllkelggpa
gltafmrsigdttfrldrwelelnsaipgdardtsspravteslqkltlgsalaapqrqq
fvdwlkgnttgnhriraavpadwavgdktgtcgvygtandyavvwptgrapivlavytra
pnkddkhseaviaaaarlaleglg

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6jn3C (C:)
stnlvaepfakleqdfggsigvyamdtgsgatvsyraeerfplcssfkgflaaavlarsq
qqaglldtpirygknalvpwspisekylttgmtvaelsaaavqysdnaaanlllkelggp
agltafmrsigdttfrldrwelelnsaipgdardtsspravteslqkltlgsalaapqrq
qfvdwlkgnttgnhriraavpadwavgdktgtcgvygtandyavvwptgrapivlavytr
apnkddkhseaviaaaarlaleglg

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6jn3D (D:)
stnlvaepfakleqdfggsigvyamdtgsgatvsyraeerfplcssfkgflaaavlarsq
qqaglldtpirygknalvpwspisekylttgmtvaelsaaavqysdnaaanlllkelggp
agltafmrsigdttfrldrwelelnsaipgdardtsspravteslqkltlgsalaapqrq
qfvdwlkgnttgnhriraavpadwavgdktgtcgvygtandyavvwptgrapivlavytr
apnkddkhseaviaaaarlaleglg

    Sequence, based on observed residues (ATOM records): (download) 
    >6jn3D (D:)
aepfakleqdfggsigvyamdtgsgatvsyraeerfplcssfkgflaaavlarsqqqagl
ldtpirygknalvpwspisekylttgmtvaelsaaavqysdnaaanlllkelggpaglta
fmrsigdttfrldrwelelnsaipgdardtsspravteslqkltlgsalaapqrqqfvdw
lkgnttgnhriraavpadwavgdktgtcgvygtandyavvwptgrapivlavytrapnkd
dkhseaviaaaarlaleglg