Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15855 | Target Info | |||
| Target Name | Dipeptidyl peptidase 8 (DPP-8) | ||||
| Synonyms | Prolyl dipeptidase DPP8; MSTP141; MSTP135; MSTP097; Dipeptidyl peptidase VIII; Dipeptidyl peptidase IV-related protein 1; DPRP1; DPRP-1; DPP VIII; DP8 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | DPP8 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Trimethylamine oxide | Ligand Info | |||
| Canonical SMILES | C[N+](C)(C)[O-] | ||||
| InChI | 1S/C3H9NO/c1-4(2,3)5/h1-3H3 | ||||
| InChIKey | UYPYRKYUKCHHIB-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1145 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7OR4 Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B142 | ||||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [1] |
| PDB Sequence |
LEPFYVERYS
57 WSQLKKLLAD67 TRKYHGYMMA77 KAPHDFMFVK87 RNDPDGPHSD97 RIYYLAMSNR 109 ENTLFYSEIP119 KTINRAAVLM129 LSWKPLLDLF139 VGIASYDYHQ173 GSGTFLFQAG 183 SGIYHVKDGG193 PQGFTQQPLR203 PNLVETSCPN213 IRMDPKLCPA223 DPDWIAFIHS 233 NDIWISNIVT243 REERRLTYVH253 NELANMEEDA263 RSAGVATFVL273 QEEFDRYSGY 283 WWCPKAETTP293 SGGKILRILY303 EENDESEVEI313 IHVTDSFRYP332 KTGTANPKVT 342 FKMSEIMIDA352 EGRIIDVIDK362 ELIQPFEILF372 EGVEYIARAG382 WTPEGKYAWS 392 ILLDRSQTRL402 QIVLISPELF412 IPVEDDVMER422 QRLIESVPDS432 VTPLIIYEET 442 TDIWINIHDI452 FHVFPQSHEE462 EIEFIFASEC472 KTGFRHLYKI482 TSILKESKYK 492 RSSGGLPAPS502 DFKCPIKEEI512 AITSGEWEVL522 GRHGSNIQVD532 EVRRLVYFEG 542 TKDSPLEHHL552 YVVSYVNPGE562 VTRLTDRGYS572 HSCCISQHCD582 FFISKYSNQK 592 NPHCVSLYKL602 SSPEDDPTCK612 TKEFWATILD622 SAGPLPDYTP632 PEIFSFESTT 642 GFTLYGMLYK652 PHDLQPGKKY662 PTVLFIYGGP672 QVQLVNNRFK682 GVKYFRLNTL 692 ASLGYVVVVI702 DNRGSCHRGL712 KFEGAFKYKM722 GQIEIDDQVE732 GLQYLASRYD 742 FIDLDRVGIH752 GWSYGGYLSL762 MALMQRSDIF772 RVAIAGAPVT782 LWIFYDTGYT 792 ERYMGHPDQN802 EQGYYLGSVA812 MQAEKFPSEP822 NRLLLLHGFL832 DENVHFAHTS 842 ILLSFLVRAG852 KPYDLQIYPQ862 ERHSIRVPES872 GEHYELHLLH882 YLQENLGSRI 892 AALKV
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| PDB ID: 7AYQ Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B114 | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [1] |
| PDB Sequence |
LEPFYVERYS
57 WSQLKKLLAD67 TRKYHGYAKA79 PHDFMFVKRN89 DPDGPHSDRI99 YYLAMSGENR 109 ENTLFYSEIP119 KTINRAAVLM129 LSWKPLLDLF139 QIASYDYHQG174 SGTFLFQAGS 184 GIYHVKDGGP194 QGFTQQPLRP204 NLVETSCPNI214 RMDPKLCPAD224 PDWIAFIHSN 234 DIWISNIVTR244 EERRLTYVHN254 ELANMEEDAR264 SAGVATFVLQ274 EEFDRYSGYW 284 WCPKAETTPS294 GGKILRILYE304 ENDESEVEII314 HVTDSFRYPK333 TGTANPKVTF 343 KMSEIMIDAE353 GRIIDVIDKE363 LIQPFEILFE373 GVEYIARAGW383 TPEGKYAWSI 393 LLDRSQTRLQ403 IVLISPELFI413 PVEDDVMERQ423 RLIESVPDSV433 TPLIIYEETT 443 DIWINIHDIF453 HVFPQSHEEE463 IEFIFASECK473 TGFRHLYKIT483 SILKESKYKR 493 SSGGLPAPSD503 FKCPIKEEIA513 ITSGEWEVLG523 RHGSNIQVDE533 VRRLVYFEGT 543 KDSPLEHHLY553 VVSYVNPGEV563 TRLTDRGYSH573 SCCISQHCDF583 FISKYSNQKN 593 PHCVSLYKLS603 SPEDDPTCKT613 KEFWATILDS623 AGPLPDYTPP633 EIFSFESTTG 643 FTLYGMLYKP653 HDLQPGKKYP663 TVLFIYGGPQ673 VQLVNNRFKG683 VKYFRLNTLA 693 SLGYVVVVID703 NRGSCHRGLK713 FEGAFKYKMG723 QIEIDDQVEG733 LQYLASRYDF 743 IDLDRVGIHG753 WSYGGYLSLM763 ALMQRSDIFR773 VAIAGAPVTL783 WIFYDTGYTE 793 RYMGHPDQNE803 QGYYLGSVAM813 QAEKFPSEPN823 RLLLLHGFLD833 ENVHFAHTSI 843 LLSFLVRAGK853 PYDLQIYPQV869 PESGEHYELH879 LLHYLQENLG889 SRIAALKV |
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| PDB ID: 7OZ7 Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, L84 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
LEPFYVERYS
57 WSQLKKLLAD67 TRKYHAKAPH81 DFMFVKRNDP91 DGPHSDRIYY101 LAMSNRENTL 113 FYSEIPKTIN123 RAAVLMLSWK133 PLLDLFQIAS168 YDYHQGSGTF178 LFQAGSGIYH 188 VKDGGPQGFT198 QQPLRPNLVE208 TSCPNIRMDP218 KLCPADPDWI228 AFIHSNDIWI 238 SNIVTREERR248 LTYVHNELAN258 MEEDARSAGV268 ATFVLQEEFD278 RYSGYWWCPK 288 AETTPSGGKI298 LRILYEENDE308 SEVEIIHVTD327 SFRYPKTGTA337 NPKVTFKMSE 347 IMIDAEGRII357 DVIDKELIQP367 FEILFEGVEY377 IARAGWTPEG387 KYAWSILLDR 397 SQTRLQIVLI407 SPELFIPVED417 DVMERQRLIE427 SVPDSVTPLI437 IYEETTDIWI 447 NIHDIFHVFP457 QSHEEEIEFI467 FASECKTGFR477 HLYKITSILK487 ESKYKRSSGG 497 LPAPSDFKCP507 IKEEIAITSG517 EWEVLGRHGS527 NIQVDEVRRL537 VYFEGTKDSP 547 LEHHLYVVSY557 VNPGEVTRLT567 DRGYSHSCCI577 SQHCDFFISK587 YSNQKNPHCV 597 SLYKLSSPED607 DPTCKTKEFW617 ATILDSAGPL627 PDYTPPEIFS637 FESTTGFTLY 647 GMLYKPHDLQ657 PGKKYPTVLF667 IYGGPQVQLV677 NNRFKGVKYF687 RLNTLASLGY 697 VVVVIDNRGS707 CHRGLKFEGA717 FKYKMGQIEI727 DDQVEGLQYL737 ASRYDFIDLD 747 RVGIHGWSYG757 GYLSLMALMQ767 RSDIFRVAIA777 GAPVTLWIFY787 DTGYTERYMG 797 HPDQNEQGYY807 LGSVAMQAEK817 FPSEPNRLLL827 LHGFLDENVH837 FAHTSILLSF 847 LVRAGKPYDL857 QIYPQVPESG873 EHYELHLLHY883 LQENLGSRIA893 ALKV |
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| PDB ID: 7A3K Crystal structure of DPP8 in complex with a b-lactam based inhibitor, A296.1 | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [2] |
| PDB Sequence |
LEPFYVERYS
57 WSQLKKLLAD67 TRKMAKAPHD82 FMFVKRNDPD92 GPHSDRIYYL102 AMSGENRENT 112 LFYSEIPKTI122 NRAAVLMLSW132 KPLLDLFQGI166 ASYDYHQGSG176 TFLFQAGSGI 186 YHVKDGGPQG196 FTQQPLRPNL206 VETSCPNIRM216 DPKLCPADPD226 WIAFIHSNDI 236 WISNIVTREE246 RRLTYVHNEL256 ANMEEDARSA266 GVATFVLQEE276 FDRYSGYWWC 286 PKAETTPSGG296 KILRILYEEN306 DESEVEIIHV316 TSPMLETRRA326 DSFRYPKTGT 336 ANPKVTFKMS346 EIMIDAEGRI356 IDVIDKELIQ366 PFEILFEGVE376 YIARAGWTPE 386 GKYAWSILLD396 RSQTRLQIVL406 ISPELFIPVE416 DDVMERQRLI426 ESVPDSVTPL 436 IIYEETTDIW446 INIHDIFHVF456 PQSHEEEIEF466 IFASECKTGF476 RHLYKITSIL 486 KESKYKRSSG496 GLPAPSDFKC506 PIKEEIAITS516 GEWEVLGRHG526 SNIQVDEVRR 536 LVYFEGTKDS546 PLEHHLYVVS556 YVNPGEVTRL566 TDRGYSHSCC576 ISQHCDFFIS 586 KYSNQKNPHC596 VSLYKLSSPE606 DDPTCKTKEF616 WATILDSAGP626 LPDYTPPEIF 636 SFESTTGFTL646 YGMLYKPHDL656 QPGKKYPTVL666 FIYGGPQVQL676 VNNRFKGVKY 686 FRLNTLASLG696 YVVVVIDNRG706 SCHRGLKFEG716 AFKYKMGQIE726 IDDQVEGLQY 736 LASRYDFIDL746 DRVGIHGWSY756 GGYLSLMALM766 QRSDIFRVAI776 AGAPVTLWIF 786 YDTGYTERYM796 GHPDQNEQGY806 YLGSVAMQAE816 KFPSEPNRLL826 LLHGFLDENV 836 HFAHTSILLS846 FLVRAGKPYD856 LQIYPQERHS866 IRVPESGEHY876 ELHLLHYLQE 886 NLGSRIAALK896 V
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TMO or .TMO2 or .TMO3 or :3TMO;style chemicals stick;color identity;select .C:669 or .C:755 or .C:756 or .C:781 or .C:784 or .C:787 or .C:791 or .C:835 or .C:836 or .C:865; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7AYR Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B115 | ||||||
| Method | X-ray diffraction | Resolution | 2.69 Å | Mutation | No | [1] |
| PDB Sequence |
LEPFYVERYS
57 WSQLKKLLAD67 TRKAKAPHDF83 MFVKRNDPDG93 PHSDRIYYLA103 MSNRENTLFY 115 SEIPKTINRA125 AVLMLSWKPL135 LDLFQIASYD170 YHQGSGTFLF180 QAGSGIYHVK 190 DGGPQGFTQQ200 PLRPNLVETS210 CPNIRMDPKL220 CPADPDWIAF230 IHSNDIWISN 240 IVTREERRLT250 YVHNELANME260 EDARSAGVAT270 FVLQEEFDRY280 SGYWWCPKAE 290 TTPSGGKILR300 ILYEENDESE310 VEIIHVTDSF329 RYPKTGTANP339 KVTFKMSEIM 349 IDAEGRIIDV359 IDKELIQPFE369 ILFEGVEYIA379 RAGWTPEGKY389 AWSILLDRSQ 399 TRLQIVLISP409 ELFIPVEDDV419 MERQRLIESV429 PDSVTPLIIY439 EETTDIWINI 449 HDIFHVFPQS459 HEEEIEFIFA469 SECKTGFRHL479 YKITSILKES489 KYKRSSGGLP 499 APSDFKCPIK509 EEIAITSGEW519 EVLGRHGSNI529 QVDEVRRLVY539 FEGTKDSPLE 549 HHLYVVSYVN559 PGEVTRLTDR569 GYSHSCCISQ579 HCDFFISKYS589 NQKNPHCVSL 599 YKLSSPEDDP609 TCKTKEFWAT619 ILDSAGPLPD629 YTPPEIFSFE639 STTGFTLYGM 649 LYKPHDLQPG659 KKYPTVLFIY669 GGPQVQLVNN679 RFKGVKYFRL689 NTLASLGYVV 699 VVIDNRGSCH709 RGLKFEGAFK719 YKMGQIEIDD729 QVEGLQYLAS739 RYDFIDLDRV 749 GIHGWSYGGY759 LSLMALMQRS769 DIFRVAIAGA779 PVTLWIFYDT789 GYTERYMGHP 799 DQNEQGYYLG809 SVAMQAEKFP819 SEPNRLLLLH829 GFLDENVHFA839 HTSILLSFLV 849 RAGKPYDLQI859 YPQVPESGEH875 YELHLLHYLQ885 ENLGSRIAAL895 KV |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TMO or .TMO2 or .TMO3 or :3TMO;style chemicals stick;color identity;select .A:669 or .A:755 or .A:756 or .A:781 or .A:784 or .A:787 or .A:791 or .A:835 or .A:836; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7SVM DPP8 IN COMPLEX WITH LIGAND ICeD-2 | ||||||
| Method | X-ray diffraction | Resolution | 2.69 Å | Mutation | No | [3] |
| PDB Sequence |
KLEPFYVERY
56 SWSQLKKLLA66 DTRKYHGYMM76 AKAPHDFMFV86 KRNDPDGPHS96 DRIYYLAMSG 106 ENRENTLFYS116 EIPKTINRAA126 VLMLSWKPLL136 DLFQATLDYG146 MYSREEELLR 156 ERKRIGTVGI166 ASYDYHQGSG176 TFLFQAGSGI186 YHVKDGGPQG196 FTQQPLRPNL 206 VETSCPNIRM216 DPKLCPADPD226 WIAFIHSNDI236 WISNIVTREE246 RRLTYVHNEL 256 ANMEEDARSA266 GVATFVLQEE276 FDRYSGYWWC286 PKAETTPSGG296 KILRILYEEN 306 DESEVEIIHV316 TSPMLETRRA326 DSFRYPKTGT336 ANPKVTFKMS346 EIMIDAEGRI 356 IDVIDKELIQ366 PFEILFEGVE376 YIARAGWTPE386 GKYAWSILLD396 RSQTRLQIVL 406 ISPELFIPVE416 DDVMERQRLI426 ESVPDSVTPL436 IIYEETTDIW446 INIHDIFHVF 456 PQSHEEEIEF466 IFASECKTGF476 RHLYKITSIL486 KESKYKRSSG496 GLPAPSDFKC 506 PIKEEIAITS516 GEWEVLGRHG526 SNIQVDEVRR536 LVYFEGTKDS546 PLEHHLYVVS 556 YVNPGEVTRL566 TDRGYSHSCC576 ISQHCDFFIS586 KYSNQKNPHC596 VSLYKLSSPE 606 DDPTCKTKEF616 WATILDSAGP626 LPDYTPPEIF636 SFESTTGFTL646 YGMLYKPHDL 656 QPGKKYPTVL666 FIYGGPQVQL676 VNNRFKGVKY686 FRLNTLASLG696 YVVVVIDNRG 706 SCHRGLKFEG716 AFKYKMGQIE726 IDDQVEGLQY736 LASRYDFIDL746 DRVGIHGWSY 756 GGYLSLMALM766 QRSDIFRVAI776 AGAPVTLWIF786 YDTGYTERYM796 GHPDQNEQGY 806 YLGSVAMQAE816 KFPSEPNRLL826 LLHGFLDENV836 HFAHTSILLS846 FLVRAGKPYD 856 LQIYPQERHS866 IRVPESGEHY876 ELHLLHYLQE886 NLGSRIAALK896 VI |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TMO or .TMO2 or .TMO3 or :3TMO;style chemicals stick;color identity;select .A:56 or .A:64 or .A:82 or .A:83 or .A:84 or .A:105 or .A:132 or .A:169 or .A:170 or .A:171 or .A:513 or .A:514 or .A:515 or .A:516 or .A:560 or .A:561 or .A:620 or .A:621 or .A:694 or .A:695 or .A:800 or .A:803; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR56
3.748
LEU64
3.674
ASP82
4.812
PHE83
3.975
MET84
3.760
SER105
4.067
TRP132
3.825
TYR169
3.888
ASP170
4.666
TYR171
4.406
ALA513
3.221
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| PDB ID: 7A3G Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, 91 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [1] |
| PDB Sequence |
PKLEPFYVER
55 YSWSQLKKLL65 ADTRKYHGYM75 MAKAPHDFMF85 VKRNDPDGPH95 SDRIYYLAMS 105 GENRENTLFY115 SEIPKTINRA125 AVLMLSWKPL135 LDLFVGIASY169 DYHQGSGTFL 179 FQAGSGIYHV189 KDGGPQGFTQ199 QPLRPNLVET209 SCPNIRMDPK219 LCPADPDWIA 229 FIHSNDIWIS239 NIVTREERRL249 TYVHNELANM259 EEDARSAGVA269 TFVLQEEFDR 279 YSGYWWCPKA289 ETTPSGGKIL299 RILYEENDES309 EVEIIHVTSP319 MLETRRADSF 329 RYPKTGTANP339 KVTFKMSEIM349 IDAEGRIIDV359 IDKELIQPFE369 ILFEGVEYIA 379 RAGWTPEGKY389 AWSILLDRSQ399 TRLQIVLISP409 ELFIPVEDDV419 MERQRLIESV 429 PDSVTPLIIY439 EETTDIWINI449 HDIFHVFPQS459 HEEEIEFIFA469 SECKTGFRHL 479 YKITSILKES489 KYKRSSGGLP499 APSDFKCPIK509 EEIAITSGEW519 EVLGRHGSNI 529 QVDEVRRLVY539 FEGTKDSPLE549 HHLYVVSYVN559 PGEVTRLTDR569 GYSHSCCISQ 579 HCDFFISKYS589 NQKNPHCVSL599 YKLSSPEDDP609 TCKTKEFWAT619 ILDSAGPLPD 629 YTPPEIFSFE639 STTGFTLYGM649 LYKPHDLQPG659 KKYPTVLFIY669 GGPQVQLVNN 679 RFKGVKYFRL689 NTLASLGYVV699 VVIDNRGSCH709 RGLKFEGAFK719 YKMGQIEIDD 729 QVEGLQYLAS739 RYDFIDLDRV749 GIHGWSYGGY759 LSLMALMQRS769 DIFRVAIAGA 779 PVTLWIFYDT789 GYTERYMGHP799 DQNEQGYYLG809 SVAMQAEKFP819 SEPNRLLLLH 829 GFLDENVHFA839 HTSILLSFLV849 RAGKPYDLQI859 YPQERHSIRV869 PESGEHYELH 879 LLHYLQENLG889 SRIAALKV
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TMO or .TMO2 or .TMO3 or :3TMO;style chemicals stick;color identity;select .B:317 or .B:324 or .B:325 or .B:326 or .B:754 or .B:831 or .B:866 or .B:867 or .B:876; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7A3I Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, LMC375 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [4] |
| PDB Sequence |
LEPFYVERYS
57 WSQLKKLLAD67 TRKYHGYMMA77 KAPHDFMFVK87 RNDPDGPHSD97 RIYYLAMSGE 107 NRENTLFYSE117 IPKTINRAAV127 LMLSWKPLLD137 LFQVGIASYD170 YHQGSGTFLF 180 QAGSGIYHVK190 DGGPQGFTQQ200 PLRPNLVETS210 CPNIRMDPKL220 CPADPDWIAF 230 IHSNDIWISN240 IVTREERRLT250 YVHNELANME260 EDARSAGVAT270 FVLQEEFDRY 280 SGYWWCPKAE290 TTPSGGKILR300 ILYEENDESE310 VEIIHFRYPK333 TGTANPKVTF 343 KMSEIMIDAE353 GRIIDVIDKE363 LIQPFEILFE373 GVEYIARAGW383 TPEGKYAWSI 393 LLDRSQTRLQ403 IVLISPELFI413 PVEDDVMERQ423 RLIESVPDSV433 TPLIIYEETT 443 DIWINIHDIF453 HVFPQSHEEE463 IEFIFASECK473 TGFRHLYKIT483 SILKESKYKR 493 SSGGLPAPSD503 FKCPIKEEIA513 ITSGEWEVLG523 RHGSNIQVDE533 VRRLVYFEGT 543 KDSPLEHHLY553 VVSYVNPGEV563 TRLTDRGYSH573 SCCISQHCDF583 FISKYSNQKN 593 PHCVSLYKLS603 SPEDDPTCKT613 KEFWATILDS623 AGPLPDYTPP633 EIFSFESTTG 643 FTLYGMLYKP653 HDLQPGKKYP663 TVLFIYGGPQ673 VQLVNNRFKG683 VKYFRLNTLA 693 SLGYVVVVID703 NRGSCHRGLK713 FEGAFKYKMG723 QIEIDDQVEG733 LQYLASRYDF 743 IDLDRVGIHG753 WSYGGYLSLM763 ALMQRSDIFR773 VAIAGAPVTL783 WIFYDTGYTE 793 RYMGHPDQNE803 QGYYLGSVAM813 QAEKFPSEPN823 RLLLLHGFLD833 ENVHFAHTSI 843 LLSFLVRAGK853 PYDLQIYPQP870 ESGEHYELHL880 LHYLQENLGS890 RIAALKV |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TMO or .TMO2 or .TMO3 or :3TMO;style chemicals stick;color identity;select .A:669 or .A:755 or .A:756 or .A:781 or .A:784 or .A:787 or .A:791 or .A:835 or .A:836; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7A3L Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A241 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [1] |
| PDB Sequence |
LEPFYVERYS
57 WSQLKKLLAD67 TRKYHGYMMA77 KAPHDFMFVK87 RNDPDGPHSD97 RIYYLAMSGE 107 NRENTLFYSE117 IPKTINRAAV127 LMLSWKPLLD137 LFQATLDYGM147 YSREEELLRE 157 RKRIGTVGIA167 SYDYHQGSGT177 FLFQAGSGIY187 HVKDGGPQGF197 TQQPLRPNLV 207 ETSCPNIRMD217 PKLCPADPDW227 IAFIHSNDIW237 ISNIVTREER247 RLTYVHNELA 257 NMEEDARSAG267 VATFVLQEEF277 DRYSGYWWCP287 KAETTPSGGK297 ILRILYEEND 307 ESEVEIIHVT317 SPMLETRRAD327 SFRYPKTGTA337 NPKVTFKMSE347 IMIDAEGRII 357 DVIDKELIQP367 FEILFEGVEY377 IARAGWTPEG387 KYAWSILLDR397 SQTRLQIVLI 407 SPELFIPVED417 DVMERQRLIE427 SVPDSVTPLI437 IYEETTDIWI447 NIHDIFHVFP 457 QSHEEEIEFI467 FASECKTGFR477 HLYKITSILK487 ESKYKRSSGG497 LPAPSDFKCP 507 IKEEIAITSG517 EWEVLGRHGS527 NIQVDEVRRL537 VYFEGTKDSP547 LEHHLYVVSY 557 VNPGEVTRLT567 DRGYSHSCCI577 SQHCDFFISK587 YSNQKNPHCV597 SLYKLSSPED 607 DPTCKTKEFW617 ATILDSAGPL627 PDYTPPEIFS637 FESTTGFTLY647 GMLYKPHDLQ 657 PGKKYPTVLF667 IYGGPQVQLV677 NNRFKGVKYF687 RLNTLASLGY697 VVVVIDNRGS 707 CHRGLKFEGA717 FKYKMGQIEI727 DDQVEGLQYL737 ASRYDFIDLD747 RVGIHGWSYG 757 GYLSLMALMQ767 RSDIFRVAIA777 GAPVTLWIFY787 DTGYTERYMG797 HPDQNEQGYY 807 LGSVAMQAEK817 FPSEPNRLLL827 LHGFLDENVH837 FAHTSILLSF847 LVRAGKPYDL 857 QIYPQERHSI867 RVPESGEHYE877 LHLLHYLQEN887 LGSRIAALKV897 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TMO or .TMO2 or .TMO3 or :3TMO;style chemicals stick;color identity;select .A:667 or .A:685 or .A:686 or .A:688 or .A:689 or .A:752 or .A:754 or .A:876 or .A:880; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7A3J Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A272 | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
LEPFYVERYS
57 WSQLKKLLAD67 TRAKAPHDFM84 FVKRNDPDGP94 HSDRIYYLAM104 SGENRENTLF 114 YSEIPKTINR124 AAVLMLSWKP134 LLDLFQVGIA167 SYDYHQGSGT177 FLFQAGSGIY 187 HVKDGGPQGF197 TQQPLRPNLV207 ETSCPNIRMD217 PKLCPADPDW227 IAFIHSNDIW 237 ISNIVTREER247 RLTYVHNELA257 NMEEDARSAG267 VATFVLQEEF277 DRYSGYWWCP 287 KAETTPSGGK297 ILRILYEEND307 ESEVEIIHVT317 SPMLETRRAD327 SFRYPKTGTA 337 NPKVTFKMSE347 IMIDAEGRII357 DVIDKELIQP367 FEILFEGVEY377 IARAGWTPEG 387 KYAWSILLDR397 SQTRLQIVLI407 SPELFIPVED417 DVMERQRLIE427 SVPDSVTPLI 437 IYEETTDIWI447 NIHDIFHVFP457 QSHEEEIEFI467 FASECKTGFR477 HLYKITSILK 487 ESKYKRSSGG497 LPAPSDFKCP507 IKEEIAITSG517 EWEVLGRHGS527 NIQVDEVRRL 537 VYFEGTKDSP547 LEHHLYVVSY557 VNPGEVTRLT567 DRGYSHSCCI577 SQHCDFFISK 587 YSNQKNPHCV597 SLYKLSSPED607 DPTCKTKEFW617 ATILDSAGPL627 PDYTPPEIFS 637 FESTTGFTLY647 GMLYKPHDLQ657 PGKKYPTVLF667 IYGGPQVQLV677 NNRFKGVKYF 687 RLNTLASLGY697 VVVVIDNRGS707 CHRGLKFEGA717 FKYKMGQIEI727 DDQVEGLQYL 737 ASRYDFIDLD747 RVGIHGWSYG757 GYLSLMALMQ767 RSDIFRVAIA777 GAPVTLWIFY 787 DTGYTERYMG797 HPDQNEQGYY807 LGSVAMQAEK817 FPSEPNRLLL827 LHGFLDENVH 837 FAHTSILLSF847 LVRAGKPYDL857 QIYPQERHSI867 RVPESGEHYE877 LHLLHYLQEN 887 LGSRIAALKV897
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TMO or .TMO2 or .TMO3 or :3TMO;style chemicals stick;color identity;select .C:669 or .C:755 or .C:756 or .C:781 or .C:784 or .C:787 or .C:791 or .C:835 or .C:836; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7SVO DPP8 IN COMPLEX WITH LIGAND ICeD-1 | ||||||
| Method | X-ray diffraction | Resolution | 2.58 Å | Mutation | No | [3] |
| PDB Sequence |
KLEPFYVERY
56 SWSQLKKLLA66 DTRKYHGYMM76 AKAPHDFMFV86 KRNDPDGPHS96 DRIYYLAMSG 106 ENRENTLFYS116 EIPKTINRAA126 VLMLSWKPLL136 DLLDYGMYSR150 EEELLRERKR 160 IGTVGIASYD170 YHQGSGTFLF180 QAGSGIYHVK190 DGGPQGFTQQ200 PLRPNLVETS 210 CPNIRMDPKL220 CPADPDWIAF230 IHSNDIWISN240 IVTREERRLT250 YVHNELANME 260 EDARSAGVAT270 FVLQEEFDRY280 SGYWWCPKAE290 TTPSGGKILR300 ILYEENDESE 310 VEIIHVTSPM320 LETRRADSFR330 YPKTGTANPK340 VTFKMSEIMI350 DAEGRIIDVI 360 DKELIQPFEI370 LFEGVEYIAR380 AGWTPEGKYA390 WSILLDRSQT400 RLQIVLISPE 410 LFIPVEDDVM420 ERQRLIESVP430 DSVTPLIIYE440 ETTDIWINIH450 DIFHVFPQSH 460 EEEIEFIFAS470 ECKTGFRHLY480 KITSILKESK490 YKRSSGGLPA500 PSDFKCPIKE 510 EIAITSGEWE520 VLGRHGSNIQ530 VDEVRRLVYF540 EGTKDSPLEH550 HLYVVSYVNP 560 GEVTRLTDRG570 YSHSCCISQH580 CDFFISKYSN590 QKNPHCVSLY600 KLSSPEDDPT 610 CKTKEFWATI620 LDSAGPLPDY630 TPPEIFSFES640 TTGFTLYGML650 YKPHDLQPGK 660 KYPTVLFIYG670 GPQVQLVNNR680 FKGVKYFRLN690 TLASLGYVVV700 VIDNRGSCHR 710 GLKFEGAFKY720 KMGQIEIDDQ730 VEGLQYLASR740 YDFIDLDRVG750 IHGWSYGGYL 760 SLMALMQRSD770 IFRVAIAGAP780 VTLWIFYDTG790 YTERYMGHPD800 QNEQGYYLGS 810 VAMQAEKFPS820 EPNRLLLLHG830 FLDENVHFAH840 TSILLSFLVR850 AGKPYDLQIY 860 PQERHSIRVP870 ESGEHYELHL880 LHYLQENLGS890 RIAALKVI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TMO or .TMO2 or .TMO3 or :3TMO;style chemicals stick;color identity;select .A:82 or .A:83 or .A:84 or .A:169 or .A:170 or .A:171 or .A:513 or .A:514 or .A:515 or .A:516 or .A:560 or .A:561; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6TRX Crystal structure of DPP8 in complex with 1G244 | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [5] |
| PDB Sequence |
LEPFYVERYS
57 WSQLKKLLAD67 TRKYHGYMMA77 KAPHDFMFVK87 RNDPDGPHSD97 RIYYLAMSNR 109 ENTLFYSEIP119 KTINRAAVLM129 LSWKPLLDLY148 SREEELLRER158 KRIGTVGIAS 168 YDYHQGSGTF178 LFQAGSGIYH188 VKDGGPQGFT198 QQPLRPNLVE208 TSCPNIRMDP 218 KLCPADPDWI228 AFIHSNDIWI238 SNIVTREERR248 LTYVHNELAN258 MEEDARSAGV 268 ATFVLQEEFD278 RYSGYWWCPK288 AETTPSGGKI298 LRILYEENDE308 SEVEIIHVTS 318 PMLETRRADS328 FRYPKTGTAN338 PKVTFKMSEI348 MIDAEGRIID358 VIDKELIQPF 368 EILFEGVEYI378 ARAGWTPEGK388 YAWSILLDRS398 QTRLQIVLIS408 PELFIPVEDD 418 VMERQRLIES428 VPDSVTPLII438 YEETTDIWIN448 IHDIFHVFPQ458 SHEEEIEFIF 468 ASECKTGFRH478 LYKITSILKE488 SKYKRSSGGL498 PAPSDFKCPI508 KEEIAITSGE 518 WEVLGRHGSN528 IQVDEVRRLV538 YFEGTKDSPL548 EHHLYVVSYV558 NPGEVTRLTD 568 RGYSHSCCIS578 QHCDFFISKY588 SNQKNPHCVS598 LYKLSSPEDD608 PTCKTKEFWA 618 TILDSAGPLP628 DYTPPEIFSF638 ESTTGFTLYG648 MLYKPHDLQP658 GKKYPTVLFI 668 YGGPQVQLVN678 NRFKGVKYFR688 LNTLASLGYV698 VVVIDNRGSC708 HRGLKFEGAF 718 KYKMGQIEID728 DQVEGLQYLA738 SRYDFIDLDR748 VGIHGWSYGG758 YLSLMALMQR 768 SDIFRVAIAG778 APVTLWIFYD788 TGYTERYMGH798 PDQNEQGYYL808 GSVAMQAEKF 818 PSEPNRLLLL828 HGFLDENVHF838 AHTSILLSFL848 VRAGKPYDLQ858 IYPQERHSIR 868 VPESGEHYEL878 HLLHYLQENL888 GSRIAALKV
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TMO or .TMO2 or .TMO3 or :3TMO;style chemicals stick;color identity;select .B:316 or .B:317 or .B:324 or .B:325 or .B:326 or .B:831; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew Chem Int Ed Engl. 2022 Nov 21;61(47):e202210498. | ||||
| REF 2 | Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9 | ||||
| REF 3 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. ACS Chem Biol. 2022 Sep 16;17(9):2595-2604. | ||||
| REF 4 | Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9 | ||||
| REF 5 | Aerosol-based ligand soaking of reservoir-free protein crystals. J Appl Crystallogr. 2021 May 28;54(Pt 3):895-902. | ||||
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