PDB entry 3g0g

View 3g0g on RCSB PDB site
Description: Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3
Class: hydrolase/hydrolase inhibitor
Keywords: DPP4, pyrimidinone, pyrimidindione, Aminopeptidase, Cell membrane, Glycoprotein, Hydrolase, Membrane, Protease, Secreted, Serine protease, Signal-anchor, Transmembrane, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2009-01-27, released 2010-02-16
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.45 Å
R-factor: 0.212
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dipeptidyl peptidase 4
    Species: Homo sapiens [TaxId:9606]
    Gene: ADCP2, CD26, DPP4
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3g0ga1, d3g0ga2
  • Chain 'B':
    Compound: dipeptidyl peptidase 4
    Species: Homo sapiens [TaxId:9606]
    Gene: ADCP2, CD26, DPP4
    Database cross-references and differences (RAF-indexed):
    • Uniprot P27487 (12-739)
      • expression tag (8-11)
    Domains in SCOPe 2.06: d3g0gb1, d3g0gb2, d3g0gb3
  • Chain 'C':
    Compound: dipeptidyl peptidase 4
    Species: Homo sapiens [TaxId:9606]
    Gene: ADCP2, CD26, DPP4
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3g0gc1, d3g0gc2
  • Chain 'D':
    Compound: dipeptidyl peptidase 4
    Species: Homo sapiens [TaxId:9606]
    Gene: ADCP2, CD26, DPP4
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3g0gd1, d3g0gd2
  • Heterogens: RUM, NAG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3g0gA (A:)
    adpggshhhhhhsrktytltdylkntyrlklyslrwisdheylykqennilvfnaeygns
    svflenstfdefghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqlitee
    ripnntqwvtwspvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeee
    vfsaysalwwspngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptv
    kffvvntdslssvtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmd
    icdydessgrwnclvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicy
    fqidkkdctfitkgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtcls
    celnpercqyysvsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqn
    vqmpskkldfiilnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwaty
    lasteniivasfdgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriai
    wgwsyggyvtsmvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrns
    tvmsraenfkqveyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasst
    ahqhiythmshfikqcfslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g0gA (A:)
    ktytltdylkntyrlklyslrwisdheylykqnilvfnaeygnssvflenstfdefghsi
    ndysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtwspvgh
    klayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwspngtf
    layaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslssvtna
    tsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwnclva
    rqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfitkgtw
    evigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqyysvsfs
    keakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfiilnet
    kfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasfdgrg
    sgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsmvlgs
    gsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqveyll
    ihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshfikqc
    fslp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3g0gB (B:)
    adpggshhhhhhsrktytltdylkntyrlklyslrwisdheylykqennilvfnaeygns
    svflenstfdefghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqlitee
    ripnntqwvtwspvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeee
    vfsaysalwwspngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptv
    kffvvntdslssvtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmd
    icdydessgrwnclvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicy
    fqidkkdctfitkgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtcls
    celnpercqyysvsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqn
    vqmpskkldfiilnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwaty
    lasteniivasfdgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriai
    wgwsyggyvtsmvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrns
    tvmsraenfkqveyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasst
    ahqhiythmshfikqcfslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g0gB (B:)
    hhhhsrktytltdylkntyrlklyslrwisdheylykqnilvfnaeygnssvflenstfd
    efghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvt
    wspvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalww
    spngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdsl
    ssvtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgr
    wnclvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctf
    itkgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqy
    ysvsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldf
    iilnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniiva
    sfdgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvt
    smvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfk
    qveyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythms
    hfikqcfslp
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3g0gC (C:)
    adpggshhhhhhsrktytltdylkntyrlklyslrwisdheylykqennilvfnaeygns
    svflenstfdefghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqlitee
    ripnntqwvtwspvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeee
    vfsaysalwwspngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptv
    kffvvntdslssvtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmd
    icdydessgrwnclvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicy
    fqidkkdctfitkgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtcls
    celnpercqyysvsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqn
    vqmpskkldfiilnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwaty
    lasteniivasfdgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriai
    wgwsyggyvtsmvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrns
    tvmsraenfkqveyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasst
    ahqhiythmshfikqcfslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g0gC (C:)
    ktytltdylkntyrlklyslrwisdheylykqnilvfnaeygnssvflenstfdefghsi
    ndysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtwspvgh
    klayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwspngtf
    layaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslssvtna
    tsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwnclva
    rqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfitkgtw
    evigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqyysvsfs
    keakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfiilnet
    kfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasfdgrg
    sgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsmvlgs
    gsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqveyll
    ihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshfikqc
    fslp
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3g0gD (D:)
    adpggshhhhhhsrktytltdylkntyrlklyslrwisdheylykqennilvfnaeygns
    svflenstfdefghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqlitee
    ripnntqwvtwspvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeee
    vfsaysalwwspngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptv
    kffvvntdslssvtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmd
    icdydessgrwnclvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicy
    fqidkkdctfitkgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtcls
    celnpercqyysvsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqn
    vqmpskkldfiilnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwaty
    lasteniivasfdgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriai
    wgwsyggyvtsmvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrns
    tvmsraenfkqveyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasst
    ahqhiythmshfikqcfslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g0gD (D:)
    ktytltdylkntyrlklyslrwisdheylysindysispdgqfilleynyvkqwrhsyta
    sydiyditeeripnntqwvtwspvghklayvwnndiyvkiepnlpsyritwtgkediiyn
    gitdwvyeeevfsaysalwwspngtflayaqfndtevplieysfysdeslqypktvrvpy
    pkagavnptvkffvvntdslssvtnatsiqitapasmligdhylcdvtwatqerislqwl
    rriqnysvmdicdydessgrwnclvarqhiemsttgwvgrfrpsephftldgnsfykiis
    neegyrhicyfqidkkdctfitkgtwevigiealtsdylyyisneykgmpggrnlykiql
    sdytkvtclscelnpercqyysvsfskeakyyqlrcsgpglplytlhssvndkglrvled
    nsaldkmlqnvqmpskkldfiilnetkfwyqmilpphfdkskkypllldvyagpcsqkad
    tvfrlnwatylasteniivasfdgrgsgyqgdkimhainrrlgtfevedqieaarqfskm
    gfvdnkriaiwgwsyggyvtsmvlgsgsgvfkcgiavapvsrweyydsvyterymglptp
    ednldhyrnstvmsraenfkqveyllihgtaddnvhfqqsaqiskalvdvgvdfqamwyt
    dedhgiasstahqhiythmshfikqcfslp