eF-site ID 4j3j-B PDB Code 4j3j Chain B click to enlarge Title Crystal Structure of DPP-IV with Compound C3 Classification HYDROLASE/HYDROLASE INHIBITOR Compound Dipeptidyl peptidase 4 Source Homo sapiens (Human) (DPP4_HUMAN) Sequence B:  RKTYTLTDYLKNTYRLKLYSLRWISDHEYLYKQENNILVF NAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEYN YVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSP VGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGIT DWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYS FYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSV TNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRI QNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFRP SEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFITK GTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSDY TKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLPL YTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFIIL NETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADTVF RLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLG TFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSMV LGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPEDN LDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQI SKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHFI KQCFSLP Description Functional site 1) chain B residue 125 type sequence R description BINDING SITE FOR RESIDUE D3C B 801 source : AC2 2) chain B residue 205 type sequence E description BINDING SITE FOR RESIDUE D3C B 801 source : AC2 3) chain B residue 206 type sequence E description BINDING SITE FOR RESIDUE D3C B 801 source : AC2 4) chain B residue 357 type sequence F description BINDING SITE FOR RESIDUE D3C B 801 source : AC2 5) chain B residue 585 type sequence Y description BINDING SITE FOR RESIDUE D3C B 801 source : AC2 6) chain B residue 630 type sequence S description BINDING SITE FOR RESIDUE D3C B 801 source : AC2 7) chain B residue 631 type sequence Y description BINDING SITE FOR RESIDUE D3C B 801 source : AC2 8) chain B residue 656 type sequence V description BINDING SITE FOR RESIDUE D3C B 801 source : AC2 9) chain B residue 662 type sequence Y description BINDING SITE FOR RESIDUE D3C B 801 source : AC2 10) chain B residue 666 type sequence Y description BINDING SITE FOR RESIDUE D3C B 801 source : AC2 11) chain B residue 710 type sequence N description BINDING SITE FOR RESIDUE D3C B 801 source : AC2 12) chain B residue 711 type sequence V description BINDING SITE FOR RESIDUE D3C B 801 source : AC2 13) chain B residue 547 type catalytic sequence Y description 169 source MCSA : MCSA2 14) chain B residue 630 type catalytic sequence S description 169 source MCSA : MCSA2 15) chain B residue 631 type catalytic sequence Y description 169 source MCSA : MCSA2 16) chain B residue 708 type catalytic sequence D description 169 source MCSA : MCSA2 17) chain B residue 740 type catalytic sequence H description 169 source MCSA : MCSA2 18) chain B residue 630 type ACT_SITE sequence S description Charge relay system => ECO:0000255|PROSITE-ProRule:PRU10084 source Swiss-Prot : SWS_FT_FI1 19) chain B residue 708 type ACT_SITE sequence D description Charge relay system => ECO:0000255|PROSITE-ProRule:PRU10084 source Swiss-Prot : SWS_FT_FI1 20) chain B residue 740 type ACT_SITE sequence H description Charge relay system => ECO:0000255|PROSITE-ProRule:PRU10084 source Swiss-Prot : SWS_FT_FI1 21) chain B residue 85 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:12906826, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72 source Swiss-Prot : SWS_FT_FI2 22) chain B residue 229 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:12906826, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72 source Swiss-Prot : SWS_FT_FI2 23) chain B residue 92 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72 source Swiss-Prot : SWS_FT_FI3 24) chain B residue 150 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12906826, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72 source Swiss-Prot : SWS_FT_FI4 25) chain B residue 219 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72 source Swiss-Prot : SWS_FT_FI5 26) chain B residue 281 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:12906826, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72 source Swiss-Prot : SWS_FT_FI6 27) chain B residue 321 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:12646248, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72 source Swiss-Prot : SWS_FT_FI7 28) chain B residue 520 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12483204, ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:20684603, ECO:0000269|PubMed:23835475, ECO:0007744|PDB:4L72 source Swiss-Prot : SWS_FT_FI8 29) chain B residue 685 type CARBOHYD sequence N description N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218 source Swiss-Prot : SWS_FT_FI9

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