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 2.05 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 2.05: d5czka1, d5czka2, d5czka3
  • 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 2.05: d5czkb1, d5czkb2, d5czkb3
  • 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
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