PDB entry 4hyp

View 4hyp on RCSB PDB site
Description: Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Class: Isomerase/Isomerase inhibitor
Keywords: Gyrase, GyrB, ATP-binding, Nucleotide-binding, Topoisomerase, ATP-binding domain, Isomerase-Isomerase inhibitor complex
Deposited on 2012-11-13, released 2013-02-13
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-02-27, with a file datestamp of 2013-02-22.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.2
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: DNA gyrase subunit b
    Species: Escherichia coli [TaxId:83333]
    Gene: acrB, b3699, gyrB, himB, hisU, JW5625, nalC
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4hypa_
  • Chain 'B':
    Compound: DNA gyrase subunit b
    Species: Escherichia coli [TaxId:83333]
    Gene: acrB, b3699, gyrB, himB, hisU, JW5625, nalC
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4hypb_
  • Chain 'C':
    Compound: DNA gyrase subunit b
    Species: Escherichia coli [TaxId:83333]
    Gene: acrB, b3699, gyrB, himB, hisU, JW5625, nalC
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4hypc_
  • Chain 'D':
    Compound: DNA gyrase subunit b
    Species: Escherichia coli [TaxId:83333]
    Gene: acrB, b3699, gyrB, himB, hisU, JW5625, nalC
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4hypd_
  • Heterogens: 1A1, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4hypA (A:)
mgldavrkrpgmyigdtddgtglhhmvfevvdnaidealaghckeiivtihadnsvsvqd
dgrgiptgihpeegvsaaevimtvlhaggkfddnsykvsgglhgvgvsvvnalsqklelv
iqregkihrqiyehgvpqaplavtgetektgtmvrfwpsletftnvtefeyeilakrlre
lsflnsgvsirlrdkrdgkedhfhyeglehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4hypA (A:)
gldavrkrpgmyigdtddgtglhhmvfevvdnaidealaghckeiivtihadnsvsvqdd
grgiptgivsaaevimtvlhaggkfkvsgglhgvgvsvvnalsqklelviqregkihrqi
yehgvpqaplavtgetektgtmvrfwpsletftnvtefeyeilakrlrelsflnsgvsir
lrdkrdgkedhfhy

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4hypB (B:)
mgldavrkrpgmyigdtddgtglhhmvfevvdnaidealaghckeiivtihadnsvsvqd
dgrgiptgihpeegvsaaevimtvlhaggkfddnsykvsgglhgvgvsvvnalsqklelv
iqregkihrqiyehgvpqaplavtgetektgtmvrfwpsletftnvtefeyeilakrlre
lsflnsgvsirlrdkrdgkedhfhyeglehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4hypB (B:)
gldavrkrpgmyigdtddgtglhhmvfevvdnaidealaghckeiivtihadnsvsvqdd
grgiptgivsaaevimtvlhaggkfkvsgglhgvgvsvvnalsqklelviqregkihrqi
yehgvpqaplavtgetektgtmvrfwpsletftnvtefeyeilakrlrelsflnsgvsir
lrdkrdgkedhfhy

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4hypC (C:)
mgldavrkrpgmyigdtddgtglhhmvfevvdnaidealaghckeiivtihadnsvsvqd
dgrgiptgihpeegvsaaevimtvlhaggkfddnsykvsgglhgvgvsvvnalsqklelv
iqregkihrqiyehgvpqaplavtgetektgtmvrfwpsletftnvtefeyeilakrlre
lsflnsgvsirlrdkrdgkedhfhyeglehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4hypC (C:)
gldavrkrpgmyigdtddgtglhhmvfevvdnaidealaghckeiivtihadnsvsvqdd
grgiptgivsaaevimtvlhaggkfkvsgglhgvgvsvvnalsqklelviqregkihrqi
yehgvpqaplavtgetektgtmvrfwpsletftnvtefeyeilakrlrelsflnsgvsir
lrdkrdgkedhfhy

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4hypD (D:)
mgldavrkrpgmyigdtddgtglhhmvfevvdnaidealaghckeiivtihadnsvsvqd
dgrgiptgihpeegvsaaevimtvlhaggkfddnsykvsgglhgvgvsvvnalsqklelv
iqregkihrqiyehgvpqaplavtgetektgtmvrfwpsletftnvtefeyeilakrlre
lsflnsgvsirlrdkrdgkedhfhyeglehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4hypD (D:)
gldavrkrpgmyigdtddgtglhhmvfevvdnaidealaghckeiivtihadnsvsvqdd
grgiptgivsaaevimtvlhaggkfkvsgglhgvgvsvvnalsqklelviqregkihrqi
yehgvpqaplavtgetektgtmvrfwpsletftnvtefeyeilakrlrelsflnsgvsir
lrdkrdgkedhfhy