PDB entry 4hy1

View 4hy1 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: ATP-binding, Nucleotide-binding, Topoisomerase, ATP-binding domain, isomerase-isomerase inhibitor complex
Deposited on 2012-11-12, released 2013-02-13
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-02-27, with a file datestamp of 2013-02-22.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.244
AEROSPACI score: 0.41 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Topoisomerase IV, subunit B
    Species: Francisella tularensis subsp. holarctica [TaxId:376619]
    Gene: DNA topoisomerase IV subunit B ParE, FTL_1726
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q2A1P5
      • see remark 999 (257)
    Domains in SCOPe 2.04: d4hy1a1, d4hy1a2
  • Chain 'B':
    Compound: Topoisomerase IV, subunit B
    Species: Francisella tularensis subsp. holarctica [TaxId:376619]
    Gene: DNA topoisomerase IV subunit B ParE, FTL_1726
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q2A1P5
      • see remark 999 (257)
    Domains in SCOPe 2.04: d4hy1b1
  • Heterogens: 19X, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4hy1A (A:)
    mqnynaksievltgldpvkkrpgmytnienpnhliqeiidnsvdevlagfaskinitlye
    dnsievaddgrgmpvdihpehkmsgielimtklhsggkfsnknythsgglhgvgvsvvna
    lstrleaeikrdgnvyhivfedgfktkdleiidnvgkkntgtkirfwpnkkyfddikvnf
    kalknlleakailckaltikysneikkekltwhfetglkgyldhkleaetlpaepfiidn
    fsngdsyldavfcwcedpsesiknsyvnliptpqdgthvtglkngiydaikayieknsls
    vknikitandsfaqlnyvisvkitnpqfagqtkeklsnkdvtnfvatavkdlltiwlnqn
    pdearqiveniskvaqkrinadlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4hy1A (A:)
    ksievltgldpvkkrpgmytnienpnhliqeiidnsvdevlagfaskinitlyednsiev
    addgrgmpvdihpehkmsgielimtklhsggkfsngglhgvgvsvvnalstrleaeikrd
    gnvyhivfedgfktkdleiidnvgkkntgtkirfwpnkkyfddikvnfkalknlleakai
    lckaltikysneikkekltwhfetglkgyldhkleaetlpaepfiidnfsngdsyldavf
    cwcedpsesiknsyvnliptpqdgthvtglkngiydaikayieknsikitandsfaqlny
    visvkitnpqfagqtkeklsnkdvtnfvatavkdlltiwlnqnpdearqiveniskvaqk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4hy1B (B:)
    mqnynaksievltgldpvkkrpgmytnienpnhliqeiidnsvdevlagfaskinitlye
    dnsievaddgrgmpvdihpehkmsgielimtklhsggkfsnknythsgglhgvgvsvvna
    lstrleaeikrdgnvyhivfedgfktkdleiidnvgkkntgtkirfwpnkkyfddikvnf
    kalknlleakailckaltikysneikkekltwhfetglkgyldhkleaetlpaepfiidn
    fsngdsyldavfcwcedpsesiknsyvnliptpqdgthvtglkngiydaikayieknsls
    vknikitandsfaqlnyvisvkitnpqfagqtkeklsnkdvtnfvatavkdlltiwlnqn
    pdearqiveniskvaqkrinadlehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4hy1B (B:)
    sievltgldpvkkrpgmytnienpnhliqeiidnsvdevlagfaskinitlyednsieva
    ddgrgmpvdihpehkmsgielimtklhsggkfsvgvsvvnalstrleaeikrdgnvyhiv
    fedgfktkdleiidnvgkkntgtkirfwpnkkyfddikvnfkalknlleakailckalti
    kysneikkekltwhfetglkgyldhklaetlpaepsesiknsyvnlip