PDB entry 3lpg

View 3lpg on RCSB PDB site
Description: Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-((6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)urea
Class: hydrolase/hydrolase inhibitor
Keywords: alpha/beta barrel, sugar-binding domain, beta-sandwich domain, glycosyl hydrolase, Glycosidase, Hydrolase, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2010-02-05, released 2010-11-17
The last revision prior to the SCOPe 2.06 freeze date was dated 2010-11-17, with a file datestamp of 2010-11-12.
Experiment type: XRAY
Resolution: 2.42 Å
R-factor: 0.206
AEROSPACI score: 0.31 (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-End)
      • expression tag (0-1)
    Domains in SCOPe 2.06: d3lpga1, d3lpga2, d3lpga3, d3lpga4
  • 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-End)
      • expression tag (0-1)
    Domains in SCOPe 2.06: d3lpgb1, d3lpgb2, d3lpgb3, d3lpgb4
  • Heterogens: Z78, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3lpgA (A:)
    shmlrpvetptreikkldglwafsldrencgidqrwwesalqesraiavpgsfndqfada
    dirnyagnvwyqrevfipkgwagqrivlrfdavthygkvwvnnqevmehqggytpfeadv
    tpyviagksvritvcvnnelnwqtippgmvitdengkkkqsyfhdffnyagihrsvmlyt
    tpntwvdditvvthvaqdcnhasvdwqvvangdvsvelrdadqqvvatgqgtsgtlqvvn
    phlwqpgegylyelcvtaksqtecdiyplrvgirsvavkgeqflinhkpfyftgfgrhed
    adlrgkgfdnvlmvhdhalmdwigansyrtshypyaeemldwadehgivvidetaavgfn
    lslgigfeagnkpkelyseeavngetqqahlqaikeliardknhpsvvmwsianepdtrp
    qgareyfaplaeatrkldptrpitcvnvmfcdahtdtisdlfdvlclnryygwyvqsgdl
    etaekvlekellawqeklhqpiiiteygvdtlaglhsmytdmwseeyqcawldmyhrvfd
    rvsavvgeqvwnfadfatsqgilrvggnkkgiftrdrkpksaafllqkrwtgmnfgekpq
    qggkq
    

    Sequence, based on observed residues (ATOM records): (download)
    >3lpgA (A:)
    shmlrpvetptreikkldglwafsldrencgidqrwwesalqesraiavpgsfndqfada
    dirnyagnvwyqrevfipkgwagqrivlrfdavthygkvwvnnqevmehqggytpfeadv
    tpyviagksvritvcvnnelnwqtippgmvitdengkkkqsyfhdffnyagihrsvmlyt
    tpntwvdditvvthvaqdcnhasvdwqvvangdvsvelrdadqqvvatgqgtsgtlqvvn
    phlwqpgegylyelcvtaksqtecdiyplrvgirsvavkgeqflinhkpfyftgfgrhed
    adlrgkgfdnvlmvhdhalmdwigansyrtshypyaeemldwadehgivvidetaavgfn
    lslgigfeagnkpkelyseeavngetqqahlqaikeliardknhpsvvmwsianepdtrp
    qgareyfaplaeatrkldptrpitcvnvmfcdahtdtisdlfdvlclnryygwyvqsgdl
    etaekvlekellawqeklhqpiiiteygvdtlaglhsmytdmwseeyqcawldmyhrvfd
    rvsavvgeqvwnfadfatsqgilrvggnkkgiftrdrkpksaafllqkrwtgmnfgekpq
    qgg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3lpgB (B:)
    shmlrpvetptreikkldglwafsldrencgidqrwwesalqesraiavpgsfndqfada
    dirnyagnvwyqrevfipkgwagqrivlrfdavthygkvwvnnqevmehqggytpfeadv
    tpyviagksvritvcvnnelnwqtippgmvitdengkkkqsyfhdffnyagihrsvmlyt
    tpntwvdditvvthvaqdcnhasvdwqvvangdvsvelrdadqqvvatgqgtsgtlqvvn
    phlwqpgegylyelcvtaksqtecdiyplrvgirsvavkgeqflinhkpfyftgfgrhed
    adlrgkgfdnvlmvhdhalmdwigansyrtshypyaeemldwadehgivvidetaavgfn
    lslgigfeagnkpkelyseeavngetqqahlqaikeliardknhpsvvmwsianepdtrp
    qgareyfaplaeatrkldptrpitcvnvmfcdahtdtisdlfdvlclnryygwyvqsgdl
    etaekvlekellawqeklhqpiiiteygvdtlaglhsmytdmwseeyqcawldmyhrvfd
    rvsavvgeqvwnfadfatsqgilrvggnkkgiftrdrkpksaafllqkrwtgmnfgekpq
    qggkq
    

    Sequence, based on observed residues (ATOM records): (download)
    >3lpgB (B:)
    shmlrpvetptreikkldglwafsldrencgidqrwwesalqesraiavpgsfndqfada
    dirnyagnvwyqrevfipkgwagqrivlrfdavthygkvwvnnqevmehqggytpfeadv
    tpyviagksvritvcvnnelnwqtippgmvitdengkkkqsyfhdffnyagihrsvmlyt
    tpntwvdditvvthvaqdcnhasvdwqvvangdvsvelrdadqqvvatgqgtsgtlqvvn
    phlwqpgegylyelcvtaksqtecdiyplrvgirsvavkgeqflinhkpfyftgfgrhed
    adlrgkgfdnvlmvhdhalmdwigansyrtshypyaeemldwadehgivvidetaavgfn
    lslgigfeagnkpkelyseeavngetqqahlqaikeliardknhpsvvmwsianepdtrp
    qgareyfaplaeatrkldptrpitcvnvmfcdahtdtisdlfdvlclnryygwyvqsgdl
    etaekvlekellawqeklhqpiiiteygvdtlaglhsmytdmwseeyqcawldmyhrvfd
    rvsavvgeqvwnfadfatsqgilrvggnkkgiftrdrkpksaafllqkrwtgmnfgekpq
    qgg