PDB entry 5ism

View 5ism on RCSB PDB site
Description: Human DPP4 in complex with a novel 5,5,6-tricyclic pyrrolidine inhibitor
Class: Hydrolase/Hydrolase Inhibitor
Keywords: Structure-based drug design, diabetes, DPP4 inhibitors, hydrolase, Hydrolase-Hydrolase Inhibitor complex
Deposited on 2016-03-15, released 2016-05-11
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-05-18, with a file datestamp of 2016-05-13.
Experiment type: XRAY
Resolution: 2 Å
R-factor: N/A
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: DPP4, ADCP2, CD26
    Database cross-references and differences (RAF-indexed):
    • Uniprot P27487 (0-727)
      • engineered mutation (0)
    Domains in SCOPe 2.07: d5isma1, d5isma2
  • Chain 'B':
    Compound: dipeptidyl peptidase 4
    Species: Homo sapiens [TaxId:9606]
    Gene: DPP4, ADCP2, CD26
    Database cross-references and differences (RAF-indexed):
    • Uniprot P27487 (0-727)
      • engineered mutation (0)
    Domains in SCOPe 2.07: d5ismb1, d5ismb2
  • Heterogens: NAG, NA, 6DG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >5ismA (A:)
    trktytltdylkntyrlklyslrwisdheylykqennilvfnaeygnssvflenstfdef
    ghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtws
    pvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwsp
    ngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslss
    vtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwn
    clvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfit
    kgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqyys
    vsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfii
    lnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasf
    dgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsm
    vlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqv
    eyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshf
    ikqcfslp
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >5ismB (B:)
    trktytltdylkntyrlklyslrwisdheylykqennilvfnaeygnssvflenstfdef
    ghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtws
    pvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwsp
    ngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslss
    vtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwn
    clvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfit
    kgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqyys
    vsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfii
    lnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasf
    dgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsm
    vlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqv
    eyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshf
    ikqcfslp