PDB entry 6cxs

View 6cxs on RCSB PDB site
Description: Crystal Structure of Clostridium perfringens beta-glucuronidase bound with a novel, potent inhibitor 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
Class: hydrolase/hydrolase inhibitor
Keywords: HYDROLASE-HYDROLASE-INHIBITOR complex, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2018-04-04, released 2019-04-17
The last revision prior to the SCOPe 2.07 freeze date was dated 2019-04-17, with a file datestamp of 2019-04-12.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: N/A
AEROSPACI score: 0.15 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: beta-glucuronidase
    Species: Clostridium perfringens (strain 13 / Type A) [TaxId:195102]
    Gene: bglR
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8XP19 (3-601)
      • expression tag (0-2)
    Domains in SCOPe 2.07: d6cxsa1, d6cxsa2, d6cxsa3, d6cxsa4
  • Chain 'B':
    Compound: beta-glucuronidase
    Species: Clostridium perfringens (strain 13 / Type A) [TaxId:195102]
    Gene: bglR
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8XP19 (3-601)
      • expression tag (0-2)
    Domains in SCOPe 2.07: d6cxsb1, d6cxsb2, d6cxsb3, d6cxsb4
  • Chain 'C':
    Compound: Maltose/maltodextrin-binding periplasmic protein
    Species: Escherichia coli [TaxId:83333]
    Gene: malE, b4034, JW3994
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0AEX9
      • expression tag (373-375)
  • Chain 'D':
    Compound: Maltose/maltodextrin-binding periplasmic protein
    Species: Escherichia coli [TaxId:83333]
    Gene: malE, b4034, JW3994
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0AEX9 (Start-372)
      • expression tag (366-376)
      • expression tag (374-376)
    Domains in SCOPe 2.07: d6cxsd1, d6cxsd2
  • Heterogens: FJV, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6cxsA (A:)
    snamlypiitesrqlidlsgiwkfklnegnglteelskapledtiemavpssyndlvesq
    evrdhvgwvwyernftipktllnerivlrfgsatheakvylngellvehkggftpfeaei
    ndllvsgdnrltvavnniidettlpvglvkevevdgkkviknsvnfdffnyagihrpvki
    yttpksyieditivtdfkenngyvnyevqavgkcnikvtiideennivaegegkegklti
    nnvhlwepmnaylyklkvellddeeiidtyfeefgvrtvevkdgkflinnkpfyfkgfgk
    hedsyvngrgineainikdfnlmkwigansfrtshypyseeimrladregivvidetpav
    glhlnfmatgfggdapkrdtwkeigtkeaherilrelvsrdknhpcvvmwsvanepdsds
    egakeyfeplikltkeldpqkrpvtvvtylmstpdrckvgdivdvlclnryygwyvaggd
    leeakrmledelkgweercpktpimfteygadtvaglhdtvpvmfteeyqveyykanhev
    mdkcknfvgeqvwnfadfatsqgiirvqgnkkgiftrerkpkmiahslrerwtnipefgy
    kk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6cxsA (A:)
    snamlypiitesrqlidlsgiwkfklnegnglteelskapledtiemavpssyndlvesq
    evrdhvgwvwyernftipktllnerivlrfgsatheakvylngellvehkggftpfeaei
    ndllvsgdnrltvavnniidettlpvglvkevevdgkkviknsvnfdffnyagihrpvki
    yttpksyieditivtdfkenngyvnyevqavgkcnikvtiideennivaegegkegklti
    nnvhlwepmnaylyklkvellddeeiidtyfeefgvrtvevkdgkflinnkpfyfkgfgk
    hedsyvngrgineainikdfnlmkwigansfrtshypyseeimrladregivvidetpav
    glhlnfmatgfpkrdtwkeigtkeaherilrelvsrdknhpcvvmwsvanepdsdsegak
    eyfeplikltkeldpqkrpvtvvtylmstpdrckvgdivdvlclnryygwyvaggdleea
    krmledelkgweercpktpimfteygadtvaglhdtvpvmfteeyqveyykanhevmdkc
    knfvgeqvwnfadfatsqgiirvqgnkkgiftrerkpkmiahslrerwtnipefgykk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6cxsB (B:)
    snamlypiitesrqlidlsgiwkfklnegnglteelskapledtiemavpssyndlvesq
    evrdhvgwvwyernftipktllnerivlrfgsatheakvylngellvehkggftpfeaei
    ndllvsgdnrltvavnniidettlpvglvkevevdgkkviknsvnfdffnyagihrpvki
    yttpksyieditivtdfkenngyvnyevqavgkcnikvtiideennivaegegkegklti
    nnvhlwepmnaylyklkvellddeeiidtyfeefgvrtvevkdgkflinnkpfyfkgfgk
    hedsyvngrgineainikdfnlmkwigansfrtshypyseeimrladregivvidetpav
    glhlnfmatgfggdapkrdtwkeigtkeaherilrelvsrdknhpcvvmwsvanepdsds
    egakeyfeplikltkeldpqkrpvtvvtylmstpdrckvgdivdvlclnryygwyvaggd
    leeakrmledelkgweercpktpimfteygadtvaglhdtvpvmfteeyqveyykanhev
    mdkcknfvgeqvwnfadfatsqgiirvqgnkkgiftrerkpkmiahslrerwtnipefgy
    kk
    

    Sequence, based on observed residues (ATOM records): (download)
    >6cxsB (B:)
    snamlypiitesrqlidlsgiwkfklnegnglteelskapledtiemavpssyndlvesq
    evrdhvgwvwyernftipktllnerivlrfgsatheakvylngellvehkggftpfeaei
    ndllvsgdnrltvavnniidettlpvglvkevevdgkkviknsvnfdffnyagihrpvki
    yttpksyieditivtdfkenngyvnyevqavgkcnikvtiideennivaegegkegklti
    nnvhlwepmnaylyklkvellddeeiidtyfeefgvrtvevkdgkflinnkpfyfkgfgk
    hedsyvngrgineainikdfnlmkwigansfrtshypyseeimrladregivvidetpav
    glhlnfmatgfapkrdtwkeigtkeaherilrelvsrdknhpcvvmwsvanepdsdsega
    keyfeplikltkeldpqkrpvtvvtylmstpdrckvgdivdvlclnryygwyvaggdlee
    akrmledelkgweercpktpimfteygadtvaglhdtvpvmfteeyqveyykanhevmdk
    cknfvgeqvwnfadfatsqgiirvqgnkkgiftrerkpkmiahslrerwtnipefgykk
    

  • Chain 'C':
    No sequence available.

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6cxsD (D:)
    hhhhhhgkieegklviwingdkgynglaevgkkfekdtgikvtvehpdkleekfpqvaat
    gdgpdiifwahdrfggyaqsgllaeitpdkafqdklypftwdavryngkliaypiaveal
    sliynkdllpnppktweeipaldkelkakgksalmfnlqepyftwpliaadggyafkyen
    gkydikdvgvdnagakagltflvdliknkhmnadtdysiaeaafnkgetamtingpwaws
    nidtskvnygvtvlptfkgqpskpfvgvlsaginaaspnkelakeflenylltdegleav
    nkdkplgavalksyeeelakdpriaatmenaqkgeimpnipqmsafwyavrtavinaasg
    rqtvdealkdaqtnsssnnnnnnnnnnrdlgtenlyfq
    

    Sequence, based on observed residues (ATOM records): (download)
    >6cxsD (D:)
    iwingdkgynglaevgkkfekdtgikvtvehpdkleekfpqvaatgdgpdiifwahdrfg
    gyaqsgllaeitpdkafqdklypftwdavryngkliaypiavealsliynkdllpnppkt
    weeipaldkelkakgksalmfnlqepyftwpliaadggyafkyengkydikdvgvdnaga
    kagltflvdliknkhmnadtdysiaeaafnkgetamtingpwawsnidtskvnygvtvlp
    tfkgqpskpfvgvlsaginaaspnkelakeflenylltdegleavnkdkplgavalksye
    eelakdpriaatmenaqkgeimpnipqmsafwyavrtavinaasgrqtvdealkdaqtns
    ss