PDB entry 4jhz

View 4jhz on RCSB PDB site
Description: Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide
Class: hydrolase/hydrolase inhibitor
Keywords: alpha/beta barrel, sugar-binding domain, beta-sandwich domain, hydrolase-hydrolase inhibitor complex
Deposited on 2013-03-05, released 2013-08-28
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-08-28, with a file datestamp of 2013-08-23.
Experiment type: XRAY
Resolution: 2.83 Å
R-factor: 0.198
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: beta-glucuronidase
    Species: Escherichia coli [TaxId:83333]
    Gene: b1617, gurA, gusA, JW1609, uidA
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05804 (2-602)
      • expression tag (0-1)
    Domains in SCOPe 2.06: d4jhza1, d4jhza2, d4jhza3, d4jhza4
  • Chain 'B':
    Compound: beta-glucuronidase
    Species: Escherichia coli [TaxId:83333]
    Gene: b1617, gurA, gusA, JW1609, uidA
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05804 (2-602)
      • expression tag (0-1)
    Domains in SCOPe 2.06: d4jhzb1, d4jhzb2, d4jhzb3, d4jhzb4
  • Heterogens: 1KV, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4jhzA (A:)
    shmlrpvetptreikkldglwafsldrencgidqrwwesalqesraiavpgsfndqfada
    dirnyagnvwyqrevfipkgwagqrivlrfdavthygkvwvnnqevmehqggytpfeadv
    tpyviagksvritvcvnnelnwqtippgmvitdengkkkqsyfhdffnyagihrsvmlyt
    tpntwvdditvvthvaqdcnhasvdwqvvangdvsvelrdadqqvvatgqgtsgtlqvvn
    phlwqpgegylyelcvtaksqtecdiyplrvgirsvavkgeqflinhkpfyftgfgrhed
    adlrgkgfdnvlmvhdhalmdwigansyrtshypyaeemldwadehgivvidetaavgfn
    lslgigfeagnkpkelyseeavngetqqahlqaikeliardknhpsvvmwsianepdtrp
    qgareyfaplaeatrkldptrpitcvnvmfcdahtdtisdlfdvlclnryygwyvqsgdl
    etaekvlekellawqeklhqpiiiteygvdtlaglhsmytdmwseeyqcawldmyhrvfd
    rvsavvgeqvwnfadfatsqgilrvggnkkgiftrdrkpksaafllqkrwtgmnfgekpq
    qgg
    

    Sequence, based on observed residues (ATOM records): (download)
    >4jhzA (A:)
    shmlrpvetptreikkldglwafsldrencgidqrwwesalqesraiavpgsfndqfada
    dirnyagnvwyqrevfipkgwagqrivlrfdavthygkvwvnnqevmehqggytpfeadv
    tpyviagksvritvcvnnelnwqtippgmvitdengkkkqsyfhdffnyagihrsvmlyt
    tpntwvdditvvthvaqdcnhasvdwqvvangdvsvelrdadqqvvatgqgtsgtlqvvn
    phlwqpgegylyelcvtaksqtecdiyplrvgirsvavkgeqflinhkpfyftgfgrhed
    adlrgkgfdnvlmvhdhalmdwigansyrtshypyaeemldwadehgivvidetaavgfn
    lslnkpkelyseeavngetqqahlqaikeliardknhpsvvmwsianepdtrpqgareyf
    aplaeatrkldptrpitcvnvmfcdahtdtisdlfdvlclnryygwyvqsgdletaekvl
    ekellawqeklhqpiiiteygvdtlaglhsmytdmwseeyqcawldmyhrvfdrvsavvg
    eqvwnfadfatsqgilrvggnkkgiftrdrkpksaafllqkrwtgmnfgekpqqgg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4jhzB (B:)
    shmlrpvetptreikkldglwafsldrencgidqrwwesalqesraiavpgsfndqfada
    dirnyagnvwyqrevfipkgwagqrivlrfdavthygkvwvnnqevmehqggytpfeadv
    tpyviagksvritvcvnnelnwqtippgmvitdengkkkqsyfhdffnyagihrsvmlyt
    tpntwvdditvvthvaqdcnhasvdwqvvangdvsvelrdadqqvvatgqgtsgtlqvvn
    phlwqpgegylyelcvtaksqtecdiyplrvgirsvavkgeqflinhkpfyftgfgrhed
    adlrgkgfdnvlmvhdhalmdwigansyrtshypyaeemldwadehgivvidetaavgfn
    lslgigfeagnkpkelyseeavngetqqahlqaikeliardknhpsvvmwsianepdtrp
    qgareyfaplaeatrkldptrpitcvnvmfcdahtdtisdlfdvlclnryygwyvqsgdl
    etaekvlekellawqeklhqpiiiteygvdtlaglhsmytdmwseeyqcawldmyhrvfd
    rvsavvgeqvwnfadfatsqgilrvggnkkgiftrdrkpksaafllqkrwtgmnfgekpq
    qgg
    

    Sequence, based on observed residues (ATOM records): (download)
    >4jhzB (B:)
    shmlrpvetptreikkldglwafsldrencgidqrwwesalqesraiavpgsfndqfada
    dirnyagnvwyqrevfipkgwagqrivlrfdavthygkvwvnnqevmehqggytpfeadv
    tpyviagksvritvcvnnelnwqtippgmvitdengkkkqsyfhdffnyagihrsvmlyt
    tpntwvdditvvthvaqdcnhasvdwqvvangdvsvelrdadqqvvatgqgtsgtlqvvn
    phlwqpgegylyelcvtaksqtecdiyplrvgirsvavkgeqflinhkpfyftgfgrhed
    adlrgkgfdnvlmvhdhalmdwigansyrtshypyaeemldwadehgivvidetaavgfn
    lslnkpkelyseeavngetqqahlqaikeliardknhpsvvmwsianepdtrpqgareyf
    aplaeatrkldptrpitcvnvmfcdahtdtisdlfdvlclnryygwyvqsgdletaekvl
    ekellawqeklhqpiiiteygvdtlaglhsmytdmwseeyqcawldmyhrvfdrvsavvg
    eqvwnfadfatsqgilrvggnkkgiftrdrkpksaafllqkrwtgmnfgekpqqgg