PDB entry 3ccc

View 3ccc on RCSB PDB site
Description: Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
Class: hydrolase
Keywords: structure-based design, denzimidazole derivatives, peptidase, Aminopeptidase, Glycoprotein, Hydrolase, Membrane, Protease, Secreted, Serine protease, Signal-anchor, Transmembrane
Deposited on 2008-02-25, released 2008-10-21
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 2.71 Å
R-factor: 0.204
AEROSPACI score: 0.28 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dipeptidyl peptidase 4
    Species: HOMO SAPIENS
    Gene: DPP4, ADCP2, CD26
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3ccca1, d3ccca2
  • Chain 'B':
    Compound: dipeptidyl peptidase 4
    Species: HOMO SAPIENS
    Gene: DPP4, ADCP2, CD26
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3cccb1, d3cccb2
  • Chain 'C':
    Compound: dipeptidyl peptidase 4
    Species: HOMO SAPIENS
    Gene: DPP4, ADCP2, CD26
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3cccc1, d3cccc2
  • Chain 'D':
    Compound: dipeptidyl peptidase 4
    Species: HOMO SAPIENS
    Gene: DPP4, ADCP2, CD26
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3cccd1, d3cccd2
  • Heterogens: NAG, 7AC, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3cccA (A:)
    adpggshhhhhhsrktytltdylkntyrlklyslrwisdheylykqennilvfnaeygns
    svflenstfdefghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqlitee
    ripnntqwvtwspvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeee
    vfsaysalwwspngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptv
    kffvvntdslssvtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmd
    icdydessgrwnclvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicy
    fqidkkdctfitkgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtcls
    celnpercqyysvsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqn
    vqmpskkldfiilnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwaty
    lasteniivasfdgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriai
    wgwsyggyvtsmvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrns
    tvmsraenfkqveyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasst
    ahqhiythmshfikqcfslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3cccA (A:)
    ktytltdylkntyrlklyslrwisdheylykqnilvfnaeygnssvflenstfdefghsi
    ndysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtwspvgh
    klayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwspngtf
    layaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslssvtna
    tsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwnclva
    rqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfitkgtw
    evigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqyysvsfs
    keakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfiilnet
    kfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasfdgrg
    sgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsmvlgs
    gsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqveyll
    ihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshfikqc
    fslp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3cccB (B:)
    adpggshhhhhhsrktytltdylkntyrlklyslrwisdheylykqennilvfnaeygns
    svflenstfdefghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqlitee
    ripnntqwvtwspvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeee
    vfsaysalwwspngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptv
    kffvvntdslssvtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmd
    icdydessgrwnclvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicy
    fqidkkdctfitkgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtcls
    celnpercqyysvsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqn
    vqmpskkldfiilnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwaty
    lasteniivasfdgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriai
    wgwsyggyvtsmvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrns
    tvmsraenfkqveyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasst
    ahqhiythmshfikqcfslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3cccB (B:)
    ktytltdylkntyrlklyslrwisdheylykqnilvfnaeygnssvflenstfdefghsi
    ndysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtwspvgh
    klayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwspngtf
    layaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslssvtna
    tsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwnclva
    rqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfitkgtw
    evigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqyysvsfs
    keakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfiilnet
    kfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasfdgrg
    sgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsmvlgs
    gsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqveyll
    ihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshfikqc
    fslp
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3cccC (C:)
    adpggshhhhhhsrktytltdylkntyrlklyslrwisdheylykqennilvfnaeygns
    svflenstfdefghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqlitee
    ripnntqwvtwspvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeee
    vfsaysalwwspngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptv
    kffvvntdslssvtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmd
    icdydessgrwnclvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicy
    fqidkkdctfitkgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtcls
    celnpercqyysvsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqn
    vqmpskkldfiilnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwaty
    lasteniivasfdgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriai
    wgwsyggyvtsmvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrns
    tvmsraenfkqveyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasst
    ahqhiythmshfikqcfslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3cccC (C:)
    ktytltdylkntyrlklyslrwisdheylykqnilvfnaeygnssvflenstfdefghsi
    ndysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtwspvgh
    klayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwspngtf
    layaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslssvtna
    tsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwnclva
    rqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfitkgtw
    evigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqyysvsfs
    keakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfiilnet
    kfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasfdgrg
    sgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsmvlgs
    gsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqveyll
    ihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshfikqc
    fslp
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3cccD (D:)
    adpggshhhhhhsrktytltdylkntyrlklyslrwisdheylykqennilvfnaeygns
    svflenstfdefghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqlitee
    ripnntqwvtwspvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeee
    vfsaysalwwspngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptv
    kffvvntdslssvtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmd
    icdydessgrwnclvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicy
    fqidkkdctfitkgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtcls
    celnpercqyysvsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqn
    vqmpskkldfiilnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwaty
    lasteniivasfdgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriai
    wgwsyggyvtsmvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrns
    tvmsraenfkqveyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasst
    ahqhiythmshfikqcfslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3cccD (D:)
    ktytltdylkntyrlklyslrwisdheylykqnilvfnaeygnssvflenstfdefghsi
    ndysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtwspvgh
    klayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwspngtf
    layaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslssvtna
    tsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwnclva
    rqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfitkgtw
    evigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqyysvsfs
    keakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfiilnet
    kfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasfdgrg
    sgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsmvlgs
    gsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqveyll
    ihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshfikqc
    fslp