PDB entry 4ffw

View 4ffw on RCSB PDB site
Description: Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin
Class: HYDROLASE/Immune System, INHIBITOR
Keywords: hydrolase, HYDROLASE-Immune System, INHIBITOR complex
Deposited on 2012-06-01, released 2012-12-12
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-12-12, with a file datestamp of 2012-12-07.
Experiment type: XRAY
Resolution: 2.9 Å
R-factor: 0.288
AEROSPACI score: 0.17 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: dipeptidyl peptidase 4
    Species: Rattus norvegicus [TaxId:10116]
    Gene: Dpp4, Cd26
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ffwa1, d4ffwa2
  • Chain 'B':
    Compound: dipeptidyl peptidase 4
    Species: Rattus norvegicus [TaxId:10116]
    Gene: Dpp4, Cd26
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ffwb1, d4ffwb2
  • Chain 'C':
    Compound: Fab light chain
    Species: Mus musculus [TaxId:10090]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • PDB 4FFW (0-209)
    Domains in SCOPe 2.07: d4ffwc1, d4ffwc2
  • Chain 'D':
    Compound: Fab heavy chain
    Species: Mus musculus [TaxId:10090]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • PDB 4FFW (0-216)
  • Chain 'H':
    Compound: Fab heavy chain
    Species: Mus musculus [TaxId:10090]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • PDB 4FFW (0-216)
  • Chain 'L':
    Compound: Fab light chain
    Species: Mus musculus [TaxId:10090]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • PDB 4FFW (0-End)
    Domains in SCOPe 2.07: d4ffwl1, d4ffwl2
  • Heterogens: 715, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ffwA (A:)
    rrtytladylkntfrvksyslrwvsdseylykqennillfnaehgnssiflenstfeifg
    dsisdysvspdrlfvlleynyvkqwrhsytasysiydlnkrqliteekipnntqwitwsq
    eghklayvwkndiyvkiephlpshritstgkenvifngindwvyeeeifgaysalwwspn
    gtflayaqfndtgvplieysfysdeslqypktvwipypkagavnptvkffivntdslsst
    tttipmqitapasvttgdhylcdvawvsedrislqwlrriqnysvmaicdydkttlvwnc
    pttqehietsatgwcgrfrpaephftsdgssfykivsdkdgykhicqfqkdrkpeqvctf
    itkgawevisiealtsdylyyisneykempggrnlykiqltdhtnkkclscdlnpercqy
    ysvslskeakyyqlgcrgpglplytlhrstdqkelrvlednsaldkmlqdvqmpskkldf
    ivlnetrfwyqmilpphfdkskkypllidvyagpcsqkadaafrlnwatylasteniiva
    sfdgrgsgyqgdkimhainkrlgtlevedqieaarqflkmgfvdskrvaiwgwsyggyvt
    smvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfk
    qveyllihgtaddnvhfqqsaqiskalvdagvdfqamwytdedhgiasstahqhiyshms
    hflqqcfslr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ffwA (A:)
    rtytladylkntfrvksyslrwvsdseylykqennillfnaehgnssiflenstfeifgd
    sisdysvspdrlfvlleynyvkqwrhsytasysiydlnkrqliteekipnntqwitwsqe
    ghklayvwkndiyvkiephlpshritstgkenvifngindwvyeeeifgaysalwwspng
    tflayaqfndtgvplieysfysdeslqypktvwipypkagavnptvkffivntdslsstt
    ttipmqitapasvttgdhylcdvawvsedrislqwlrriqnysvmaicdydkttlvwncp
    ttqehietsatgwcgrfrpaephftsdgssfykivsdkdgykhicqfqkdrkpeqvctfi
    tkgawevisiealtsdylyyisneykempggrnlykiqltdhtnkkclscdlnpercqyy
    svslskeakyyqlgcrgpglplytlhrstdqkelrvlednsaldkmlqdvqmpskkldfi
    vlnetrfwyqmilpphfdkskkypllidvyagpcsqkadaafrlnwatylasteniivas
    fdgrgsgyqgdkimhainkrlgtlevedqieaarqflkmgfvdskrvaiwgwsyggyvts
    mvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkq
    veyllihgtaddnvhfqqsaqiskalvdagvdfqamwytdedhgiasstahqhiyshmsh
    flqqcfs
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4ffwB (B:)
    rrtytladylkntfrvksyslrwvsdseylykqennillfnaehgnssiflenstfeifg
    dsisdysvspdrlfvlleynyvkqwrhsytasysiydlnkrqliteekipnntqwitwsq
    eghklayvwkndiyvkiephlpshritstgkenvifngindwvyeeeifgaysalwwspn
    gtflayaqfndtgvplieysfysdeslqypktvwipypkagavnptvkffivntdslsst
    tttipmqitapasvttgdhylcdvawvsedrislqwlrriqnysvmaicdydkttlvwnc
    pttqehietsatgwcgrfrpaephftsdgssfykivsdkdgykhicqfqkdrkpeqvctf
    itkgawevisiealtsdylyyisneykempggrnlykiqltdhtnkkclscdlnpercqy
    ysvslskeakyyqlgcrgpglplytlhrstdqkelrvlednsaldkmlqdvqmpskkldf
    ivlnetrfwyqmilpphfdkskkypllidvyagpcsqkadaafrlnwatylasteniiva
    sfdgrgsgyqgdkimhainkrlgtlevedqieaarqflkmgfvdskrvaiwgwsyggyvt
    smvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfk
    qveyllihgtaddnvhfqqsaqiskalvdagvdfqamwytdedhgiasstahqhiyshms
    hflqqcfslr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ffwB (B:)
    rtytladylkntfrvksyslrwvsdseylykqennillfnaehgnssiflenstfeifgd
    sisdysvspdrlfvlleynyvkqwrhsytasysiydlnkrqliteekipnntqwitwsqe
    ghklayvwkndiyvkiephlpshritstgkenvifngindwvyeeeifgaysalwwspng
    tflayaqfndtgvplieysfysdeslqypktvwipypkagavnptvkffivntdslsstt
    ttipmqitapasvttgdhylcdvawvsedrislqwlrriqnysvmaicdydkttlvwncp
    ttqehietsatgwcgrfrpaephftsdgssfykivsdkdgykhicqfqkdrkpeqvctfi
    tkgawevisiealtsdylyyisneykempggrnlykiqltdhtnkkclscdlnpercqyy
    svslskeakyyqlgcrgpglplytlhrstdqkelrvlednsaldkmlqdvqmpskkldfi
    vlnetrfwyqmilpphfdkskkypllidvyagpcsqkadaafrlnwatylasteniivas
    fdgrgsgyqgdkimhainkrlgtlevedqieaarqflkmgfvdskrvaiwgwsyggyvts
    mvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkq
    veyllihgtaddnvhfqqsaqiskalvdagvdfqamwytdedhgiasstahqhiyshmsh
    flqqcfslr
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4ffwC (C:)
    qivlsqspailsaspgekvtmtcrasssvnnmhwyqqkpssspkpwlhgtsnlasgvpvr
    fsgsgsgtsfsltisrveaedaatyfcqqwsnhpptfgggtkleidradaaptvsifpps
    seqltsggasvvcflnnfypkdinvkwkidgserqngvlnswtdqdskdstysmsstltl
    tkdeyerhnsytceathktstspivksfnr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ffwC (C:)
    qivlsqspailsaspgekvtmtcrasssvnnmhwyqqkpssspkpwlhgtsnlasgvpvr
    fsgsgsgtsfsltisrveaedaatyfcqqwsnhpptfgggtkleidradaaptvsifpps
    seqltsggasvvcflnnfypkdinvkwkidgservlnswtdqdskdstysmsstltltkd
    eyerhnsytceathktstspivksfnr
    

  • Chain 'D':
    No sequence available.

  • Chain 'H':
    No sequence available.

  • Chain 'L':
    Sequence, based on SEQRES records: (download)
    >4ffwL (L:)
    qivlsqspailsaspgekvtmtcrasssvnnmhwyqqkpssspkpwlhgtsnlasgvpvr
    fsgsgsgtsfsltisrveaedaatyfcqqwsnhpptfgggtkleidradaaptvsifpps
    seqltsggasvvcflnnfypkdinvkwkidgserqngvlnswtdqdskdstysmsstltl
    tkdeyerhnsytceathktstspivksfnr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ffwL (L:)
    qivlsqspailsaspgekvtmtcrasssvnnmhwyqqkpssspkpwlhgtsnlasgvpvr
    fsgsgsgtsfsltisrveaedaatyfcqqwsnhpptfgggtkleidradaaptvsifpps
    seqltsggasvvcflnnfypkdinvkwkidgsgvlnswtdqdskdstysmsstltltkde
    yerhnsytceathktstspivk