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 2.03 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 2.03: 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 2.03: 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