PDB entry 3sww

View 3sww on RCSB PDB site
Description: Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one
Class: HYDROLASE/HYDROLASE inhibitor
Keywords: EXOPEPTIDASE, ALPHA/BETA HYDROLASE FOLD, BETA BARREL, BETA PROPELLER, DPP4, DIMER, PROTEIN:INHIBITOR COMPLEX, AMINOPEPTIDASE, GLYCOPROTEIN, MEMBRANE, PROTEASE, SECRETED, SERINE PROTEASE, SIGNAL-ANCHOR, TRANSMEMBRANE, HYDROLASE-HYDROLASE inhibitor complex
Deposited on 2011-07-14, released 2011-10-26
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-05-23, with a file datestamp of 2012-05-18.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.199
AEROSPACI score: 0.43 (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): Domains in SCOPe 2.07: d3swwa1, d3swwa2
  • Chain 'B':
    Compound: dipeptidyl peptidase 4
    Species: Homo sapiens [TaxId:9606]
    Gene: DPP4, ADCP2, CD26
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3swwb1, d3swwb2
  • Heterogens: NAG, KXB, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3swwA (A:)
efsrktytltdylkntyrlklyslrwisdheylykqennilvfnaeygnssvflenstfd
efghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvt
wspvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalww
spngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdsl
ssvtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgr
wnclvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctf
itkgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqy
ysvsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldf
iilnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniiva
sfdgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvt
smvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfk
qveyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythms
hfikqcfslppleqkliseedlnsavdhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3swwA (A:)
rktytltdylkntyrlklyslrwisdheylykqennilvfnaeygnssvflenstfdefg
hsindysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtwsp
vghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwspn
gtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslssv
tnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwnc
lvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfitk
gtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqyysv
sfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfiil
netkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasfd
grgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsmv
lgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqve
yllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshfi
kqcfslp

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3swwB (B:)
efsrktytltdylkntyrlklyslrwisdheylykqennilvfnaeygnssvflenstfd
efghsindysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvt
wspvghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalww
spngtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdsl
ssvtnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgr
wnclvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctf
itkgtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqy
ysvsfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldf
iilnetkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniiva
sfdgrgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvt
smvlgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfk
qveyllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythms
hfikqcfslppleqkliseedlnsavdhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3swwB (B:)
rktytltdylkntyrlklyslrwisdheylykqennilvfnaeygnssvflenstfdefg
hsindysispdgqfilleynyvkqwrhsytasydiydlnkrqliteeripnntqwvtwsp
vghklayvwnndiyvkiepnlpsyritwtgkediiyngitdwvyeeevfsaysalwwspn
gtflayaqfndtevplieysfysdeslqypktvrvpypkagavnptvkffvvntdslssv
tnatsiqitapasmligdhylcdvtwatqerislqwlrriqnysvmdicdydessgrwnc
lvarqhiemsttgwvgrfrpsephftldgnsfykiisneegyrhicyfqidkkdctfitk
gtwevigiealtsdylyyisneykgmpggrnlykiqlsdytkvtclscelnpercqyysv
sfskeakyyqlrcsgpglplytlhssvndkglrvlednsaldkmlqnvqmpskkldfiil
netkfwyqmilpphfdkskkypllldvyagpcsqkadtvfrlnwatylasteniivasfd
grgsgyqgdkimhainrrlgtfevedqieaarqfskmgfvdnkriaiwgwsyggyvtsmv
lgsgsgvfkcgiavapvsrweyydsvyterymglptpednldhyrnstvmsraenfkqve
yllihgtaddnvhfqqsaqiskalvdvgvdfqamwytdedhgiasstahqhiythmshfi
kqcfslp