PDB entry 4duh

View 4duh on RCSB PDB site
Description: Crystal structure of 24 kDa domain of E. coli DNA gyrase B in complex with small molecule inhibitor
Class: isomerase/isomerase inhibitor
Keywords: structure-based drug design, antibacterial, DNA gyrase B, gyrase, ISOMERASE-ISOMERASE INHIBITOR complex
Deposited on 2012-02-22, released 2012-08-01
The last revision prior to the SCOPe 2.06 freeze date was dated 2012-08-08, with a file datestamp of 2012-08-03.
Experiment type: XRAY
Resolution: 1.5 Å
R-factor: 0.193
AEROSPACI score: 0.62 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: DNA gyrase subunit b
    Species: Escherichia coli [TaxId:83333]
    Gene: gyrB, acrB, himB, hisU, nalC, parA, pcbA, b3699, JW5625
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4duha_
  • Chain 'B':
    Compound: DNA gyrase subunit b
    Species: Escherichia coli [TaxId:83333]
    Gene: gyrB, acrB, himB, hisU, nalC, parA, pcbA, b3699, JW5625
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4duhb_
  • Heterogens: RLI, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4duhA (A:)
msnsydsssikvlkgldavrkrpgmyigdtddgtglhhmvfevvdnaidealaghckeii
vtihadnsvsvqddgrgiptgihpeegvsaaevimtvlhaggkfddnsykvsgglhgvgv
svvnalsqklelviqregkihrqiyehgvpqaplavtgetektgtmvrfwpsletftnvt
efeyeilakrlrelsflnsgvsirlrdkrdgkedhfhyeg

    Sequence, based on observed residues (ATOM records): (download) 
    >4duhA (A:)
gldavrkrpgmyigdtddgtglhhmvfevvdnaidealaghckeiivtihadnsvsvqdd
grgiptgihpeegvsaaevimtvlhaggkfddnsgvgvsvvnalsqklelviqregkihr
qiyehgvpqaplavtgetektgtmvrfwpsletftnvtefeyeilakrlrelsflnsgvs
irlrdkrdgkedhfh

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4duhB (B:)
msnsydsssikvlkgldavrkrpgmyigdtddgtglhhmvfevvdnaidealaghckeii
vtihadnsvsvqddgrgiptgihpeegvsaaevimtvlhaggkfddnsykvsgglhgvgv
svvnalsqklelviqregkihrqiyehgvpqaplavtgetektgtmvrfwpsletftnvt
efeyeilakrlrelsflnsgvsirlrdkrdgkedhfhyeg

    Sequence, based on observed residues (ATOM records): (download) 
    >4duhB (B:)
vlkgldavrkrpgmyigdtddgtglhhmvfevvdnaidealaghckeiivtihadnsvsv
qddgrgiptgihpeegvsaaevimtvlhaggkfgvgvsvvnalsqklelviqregkihrq
iyehgvpqaplavtgetektgtmvrfwpsletftnvtefeyeilakrlrelsflnsgvsi
rlrdkrdgkedhfh