PDB entry 4a5s

View 4a5s on RCSB PDB site
Description: crystal structure of human dpp4 in complex with a noval heterocyclic dpp4 inhibitor
Class: hydrolase
Keywords: hydrolase, type 2 diabetes, novartis compound nvp-biv988
Deposited on 2011-10-28, released 2012-02-08
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-02-08, with a file datestamp of 2012-02-03.
Experiment type: XRAY
Resolution: 1.62 Å
R-factor: 0.1641
AEROSPACI score: 0.6 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Dipeptidyl peptidase 4 soluble form
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P27487 (Start-727)
      • expression tag (728)
      • conflict (398)
    Domains in SCOPe 2.04: d4a5sa1, d4a5sa2
  • Chain 'B':
    Compound: Dipeptidyl peptidase 4 soluble form
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P27487 (Start-727)
      • expression tag (728-734)
      • conflict (398)
    Domains in SCOPe 2.04: d4a5sb1, d4a5sb2
  • Heterogens: N7F, NAG, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4a5sA (A:)
srktytltdylkntyrlklyslrwisdheylykqennilvfnaeygnssvflenstfdef
ghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtws
pvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwsp
ngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslss
vtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwn
clvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfit
kgtwevigiealtsdylyyisneykgmpggrnlykiqlidytkvtclscelnpercqyys
vsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfii
lnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasf
dgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsm
vlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqv
eyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshf
ikqcfslpaaaswshpqfek

    Sequence, based on observed residues (ATOM records): (download) 
    >4a5sA (A:)
rktytltdylkntyrlklyslrwisdheylykqennilvfnaeygnssvflenstfdefg
hsindysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtwsp
vghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwspn
gtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslssv
tnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwnc
lvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfitk
gtwevigiealtsdylyyisneykgmpggrnlykiqlidytkvtclscelnpercqyysv
sfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfiil
netkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasfd
grgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsmv
lgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqve
yllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshfi
kqcfslpa

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4a5sB (B:)
srktytltdylkntyrlklyslrwisdheylykqennilvfnaeygnssvflenstfdef
ghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtws
pvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwsp
ngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslss
vtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwn
clvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfit
kgtwevigiealtsdylyyisneykgmpggrnlykiqlidytkvtclscelnpercqyys
vsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfii
lnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasf
dgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsm
vlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqv
eyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshf
ikqcfslpaaaswshpqfek

    Sequence, based on observed residues (ATOM records): (download) 
    >4a5sB (B:)
rktytltdylkntyrlklyslrwisdheylykqennilvfnaeygnssvflenstfdefg
hsindysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtwsp
vghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwspn
gtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslssv
tnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwnc
lvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfitk
gtwevigiealtsdylyyisneykgmpggrnlykiqlidytkvtclscelnpercqyysv
sfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfiil
netkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasfd
grgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsmv
lgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqve
yllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshfi
kqcfslpaaaswsh