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 SCOP 1.75 freeze date was dated 2008-10-21, with a file datestamp of 2008-10-17.
Experiment type: XRAY
Resolution: 2.71 Å
R-factor: 0.204
AEROSPACI score: 0.32 (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 SCOP 1.75: d3ccca1, d3ccca2
  • Chain 'B':
    Compound: dipeptidyl peptidase 4
    Species: HOMO SAPIENS
    Gene: DPP4, ADCP2, CD26
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d3cccb1, d3cccb2
  • Chain 'C':
    Compound: dipeptidyl peptidase 4
    Species: HOMO SAPIENS
    Gene: DPP4, ADCP2, CD26
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d3cccc1, d3cccc2
  • Chain 'D':
    Compound: dipeptidyl peptidase 4
    Species: HOMO SAPIENS
    Gene: DPP4, ADCP2, CD26
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: 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