PDB entry 5czk

View 5czk on RCSB PDB site
Description: Structure of E. coli beta-glucuronidase bound with a novel, potent inhibitor 1-((6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea
Class: Hydrolase/Hydrolase Inhibitor
Keywords: alpha/beta barrel, sugar-binding domain, beta-sandwich domain, Hydrolase-Hydrolase Inhibitor complex
Deposited on 2015-07-31, released 2015-10-14
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-10-14, with a file datestamp of 2015-10-09.
Experiment type: XRAY
Resolution: 2.39 Å
R-factor: N/A
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: beta-glucuronidase
    Species: Escherichia coli [TaxId:83333]
    Gene: uidA, gurA, gusA, b1617, JW1609
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05804 (2-End)
      • expression tag (0-1)
    Domains in SCOPe 2.06: d5czka1, d5czka2, d5czka3, d5czka4
  • Chain 'B':
    Compound: beta-glucuronidase
    Species: Escherichia coli [TaxId:83333]
    Gene: uidA, gurA, gusA, b1617, JW1609
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05804 (2-End)
      • expression tag (0-1)
    Domains in SCOPe 2.06: d5czkb1, d5czkb2, d5czkb3, d5czkb4
  • Heterogens: 57Z, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5czkA (A:)
    shmlrpvetptreikkldglwafsldrencgidqrwwesalqesraiavpgsfndqfada
    dirnyagnvwyqrevfipkgwagqrivlrfdavthygkvwvnnqevmehqggytpfeadv
    tpyviagksvritvcvnnelnwqtippgmvitdengkkkqsyfhdffnyagihrsvmlyt
    tpntwvdditvvthvaqdcnhasvdwqvvangdvsvelrdadqqvvatgqgtsgtlqvvn
    phlwqpgegylyelcvtaksqtecdiyplrvgirsvavkgeqflinhkpfyftgfgrhed
    adlrgkgfdnvlmvhdhalmdwigansyrtshypyaeemldwadehgivvidetaavgfn
    lslgigfeagnkpkelyseeavngetqqahlqaikeliardknhpsvvmwsianepdtrp
    qgareyfaplaeatrkldptrpitcvnvmfcdahtdtisdlfdvlclnryygwyvqsgdl
    etaekvlekellawqeklhqpiiiteygvdtlaglhsmytdmwseeyqcawldmyhrvfd
    rvsavvgeqvwnfadfatsqgilrvggnkkgiftrdrkpksaafllqkrwtgmnfgekpq
    qggkq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5czkA (A:)
    shmlrpvetptreikkldglwafsldrencgidqrwwesalqesraiavpgsfndqfada
    dirnyagnvwyqrevfipkgwagqrivlrfdavthygkvwvnnqevmehqggytpfeadv
    tpyviagksvritvcvnnelnwqtippgmvitdengkkkqsyfhdffnyagihrsvmlyt
    tpntwvdditvvthvaqdcnhasvdwqvvangdvsvelrdadqqvvatgqgtsgtlqvvn
    phlwqpgegylyelcvtaksqtecdiyplrvgirsvavkgeqflinhkpfyftgfgrhed
    adlrgkgfdnvlmvhdhalmdwigansyrtshypyaeemldwadehgivvidetaavgfn
    lslgigfnkpkelyseeavngetqqahlqaikeliardknhpsvvmwsianepdtrpqga
    reyfaplaeatrkldptrpitcvnvmfcdahtdtisdlfdvlclnryygwyvqsgdleta
    ekvlekellawqeklhqpiiiteygvdtlaglhsmytdmwseeyqcawldmyhrvfdrvs
    avvgeqvwnfadfatsqgilrvggnkkgiftrdrkpksaafllqkrwtgmnfgekpqqgg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5czkB (B:)
    shmlrpvetptreikkldglwafsldrencgidqrwwesalqesraiavpgsfndqfada
    dirnyagnvwyqrevfipkgwagqrivlrfdavthygkvwvnnqevmehqggytpfeadv
    tpyviagksvritvcvnnelnwqtippgmvitdengkkkqsyfhdffnyagihrsvmlyt
    tpntwvdditvvthvaqdcnhasvdwqvvangdvsvelrdadqqvvatgqgtsgtlqvvn
    phlwqpgegylyelcvtaksqtecdiyplrvgirsvavkgeqflinhkpfyftgfgrhed
    adlrgkgfdnvlmvhdhalmdwigansyrtshypyaeemldwadehgivvidetaavgfn
    lslgigfeagnkpkelyseeavngetqqahlqaikeliardknhpsvvmwsianepdtrp
    qgareyfaplaeatrkldptrpitcvnvmfcdahtdtisdlfdvlclnryygwyvqsgdl
    etaekvlekellawqeklhqpiiiteygvdtlaglhsmytdmwseeyqcawldmyhrvfd
    rvsavvgeqvwnfadfatsqgilrvggnkkgiftrdrkpksaafllqkrwtgmnfgekpq
    qggkq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5czkB (B:)
    shmlrpvetptreikkldglwafsldrencgidqrwwesalqesraiavpgsfndqfada
    dirnyagnvwyqrevfipkgwagqrivlrfdavthygkvwvnnqevmehqggytpfeadv
    tpyviagksvritvcvnnelnwqtippgmvitdengkkkqsyfhdffnyagihrsvmlyt
    tpntwvdditvvthvaqdcnhasvdwqvvangdvsvelrdadqqvvatgqgtsgtlqvvn
    phlwqpgegylyelcvtaksqtecdiyplrvgirsvavkgeqflinhkpfyftgfgrhed
    adlrgkgfdnvlmvhdhalmdwigansyrtshypyaeemldwadehgivvidetaavgfn
    lslgigfankpkelyseeavngetqqahlqaikeliardknhpsvvmwsianepdtrpqg
    areyfaplaeatrkldptrpitcvnvmfcdahtdtisdlfdvlclnryygwyvqsgdlet
    aekvlekellawqeklhqpiiiteygvdtlaglhsmytdmwseeyqcawldmyhrvfdrv
    savvgeqvwnfadfatsqgilrvggnkkgiftrdrkpksaafllqkrwtgmnfgekpqqg
    g