Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T72849 | Target Info | |||
| Target Name | Adipocyte-derived leucine aminopeptidase (ERAP1) | ||||
| Synonyms | Type 1 tumor necrosis factor receptor shedding aminopeptidase regulator; Puromycin-insensitive leucyl-specific aminopeptidase; PILS-AP; ERAP1; Aminopeptidase PILS; ARTS-1; ALAP; A-LAP | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | ERAP1 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | D-malate | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)O)C(=O)O | ||||
| InChI | 1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1 | ||||
| InChIKey | BJEPYKJPYRNKOW-UWTATZPHSA-N | ||||
| PubChem Compound ID | 92824 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6T6R Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with (4aR,5S,6R,8S,8aR)-5-(2-(Furan-3-yl)ethyl)-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid | ||||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | Yes | [1] |
| PDB Sequence |
TPFPWNKIRL
54 PEYVIPVHYD64 LLIHAQLTTL74 TFWGTTKVEI84 TASQPTSTII94 LHSHHLQISR 104 ATLRKGAGER114 LSEEPLQVLE124 HPRQEQIALL134 APEPLLVGLP144 YTVVIHYAGQ 154 LSETFHGFYK164 STYRTKEGEL174 RILASTQFEP184 TAARMAFPCF194 DEPAFKASFS 204 IKIRREPRHL214 AISNMPLVKS224 VTVAEGLIED234 HFDVTVKMST244 YLVAFIISDF 254 ESVSKITKSG264 VKVSVYAVPD274 KINQADYALD284 AAVTLLEFYE294 DYFSIPYPLP 304 KQDLAAIPDF314 QSGAMENWGL324 TTYRESALLF334 DAEKSSASSK344 LGITMTVAHE 354 LAHQWFGNLV364 TMEWWNDLWL374 NEGFAKFMEF384 VSVSVTHPEL394 KVGDYFFGKC 404 FDAMEVDALQ414 SSHPVSTPVE424 NPAQIREMFD434 DVSYDKGACI444 LNMLREYLSA 454 DAFKSGIVQY464 LQKHSYKNTK474 NEDLWDSMAS484 IGVDVKTMMN522 TWTLQKGFPL 532 ITITVRGRNV542 HMKQEHYMKG552 GYLWHVPLTF569 ITSKSDMVHR579 FLLKTKTDVL 589 ILPEEVEWIK599 FNVGMNGYYI609 VHYEDDGWDS619 LTGLLKGTHT629 AVSSNDRASL 639 INNAFQLVSI649 GKLSIEKALD659 LSLYLKHETE669 IMPVFQGLNE679 LIPMYKLMEK 689 RDMNEVETQF699 KAFLIRLLRD709 LIDKQTWTDE719 GSVSERMLRS729 QLLLLACVHN 739 YQPCVQRAEG749 YFRKWKESNG759 QLSLPVDVTL769 AVFAVGAQST779 EGWDFLYSKY 789 QFSLSSTEKS799 QIEFALCRTQ809 NKEKLQWLLD819 ESFKGDKIKT829 QEFPQILTLI 839 GRNPVGYPLA849 WQFLRKNWNK859 LVQKFELGSS869 SIAHMVMGTT879 NQFSTRTRLE 889 EVKGFFSSLK899 ENGSQLRCVQ909 QTIETIEENI919 GWMDKNFDKI929 RVWLQS |
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| PDB ID: 6Q4R High-resolution crystal structure of ERAP1 with bound phosphinic transition-state analogue inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [2] |
| PDB Sequence |
TPFPWNKIRL
54 PEYVIPVHYD64 LLIHANLTTL74 TFWGTTKVEI84 TASQPTSTII94 LHSHHLQISR 104 ATLRKRLSEE118 PLQVLEHPRQ128 EQIALLAPEP138 LLVGLPYTVV148 IHYAGNLSET 158 FHGFYKSTYR168 TKEGELRILA178 STQFEPTAAR188 MAFPCFDEPA198 FKASFSIKIR 208 REPRHLAISN218 MPLVKSVTVA228 EGLIEDHFDV238 TVKMSTYLVA248 FIISDFESVS 258 KITKSGVKVS268 VYAVPDKINQ278 ADYALDAAVT288 LLEFYEDYFS298 IPYPLPKQDL 308 AAIPDFQSGA318 MENWGLTTYR328 ESALLFDAEK338 SSASSKLGIT348 MTVAHELAHQ 358 WFGNLVTMEW368 WNDLWLNEGF378 AKFMEFVSVS388 VTHPELKVGD398 YFFGKCFDAM 408 EVDALNSSHP418 VSTPVENPAQ428 IREMFDDVSY438 DKGACILNML448 REYLSADAFK 458 SGIVQYLQKH468 SYKNTKNEDL478 WDSMASIVDV517 KTMMNTWTLQ527 KGFPLITITV 537 RGRNVHMKQE547 HYMKGDTGYL562 WHVPLTFITS572 KSDMVHRFLL582 KTKTDVLILP 592 EEVEWIKFNV602 GMNGYYIVHY612 EDDGWDSLTG622 LLKGTHTAVS632 SNDRASLINN 642 AFQLVSIGKL652 SIEKALDLSL662 YLKHETEIMP672 VFQGLNELIP682 MYKLMEKRDM 692 NEVETQFKAF702 LIRLLRDLID712 KQTWTDEGSV722 SERMLRSQLL732 LLACVHNYQP 742 CVQRAEGYFR752 KWKESNGNLS762 LPVDVTLAVF772 AVGAQSTEGW782 DFLYSKYQFS 792 LSSTEKSQIE802 FALCRTQNKE812 KLQWLLDESF822 KGDKIKTQEF832 PQILTLIGRN 842 PVGYPLAWQF852 LRKNWNKLVQ862 KFELGSSSIA872 HMVMGTTNQF882 STRTRLEEVK 892 GFFSSLKENG902 SQLRCVQQTI912 ETIEENIGWM922 DKNFDKIRVW932 LQSEK |
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| PDB ID: 7Z28 High-resolution crystal structure of ERAP1 with bound bestatin analogue inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [3] |
| PDB Sequence |
TPFPWNKIRL
54 PEYVIPVHYD64 LLIHANLTTL74 TFWGTTKVEI84 TASQPTSTII94 LHSHHLQISR 104 ATLRKGAGER114 LSEEPLQVLE124 HPRQEQIALL134 APEPLLVGLP144 YTVVIHYAGN 154 LSETFHGFYK164 STYRTKEGEL174 RILASTQFEP184 TAARMAFPCF194 DEPAFKASFS 204 IKIRREPRHL214 AISNMPLVKS224 VTVAEGLIED234 HFDVTVKMST244 YLVAFIISDF 254 ESVSKITKSG264 VKVSVYAVPD274 KINQADYALD284 AAVTLLEFYE294 DYFSIPYPLP 304 KQDLAAIPDF314 QSGAMENWGL324 TTYRESALLF334 DAEKSSASSK344 LGITMTVAHE 354 LAHQWFGNLV364 TMEWWNDLWL374 NEGFAKFMEF384 VSVSVTHPEL394 KVGDYFFGKC 404 FDAMEVDALN414 SSHPVSTPVE424 NPAQIREMFD434 DVSYDKGACI444 LNMLREYLSA 454 DAFKSGIVQY464 LQKHSYKNTK474 NEDLWDSMAS484 ISGDVKTMMN522 TWTLQKGFPL 532 ITITVRGRNV542 HMKQEHYMKG552 DTGYLWHVPL567 TFITSKSDMV577 HRFLLKTKTD 587 VLILPEEVEW597 IKFNVGMNGY607 YIVHYEDDGW617 DSLTGLLKGT627 HTAVSSNDRA 637 SLINNAFQLV647 SIGKLSIEKA657 LDLSLYLKHE667 TEIMPVFQGL677 NELIPMYKLM 687 EKRDMNEVET697 QFKAFLIRLL707 RDLIDKQTWT717 DEGSVSERML727 RSQLLLLACV 737 HNYQPCVQRA747 EGYFRKWKES757 NGNLSLPVDV767 TLAVFAVGAQ777 STEGWDFLYS 787 KYQFSLSSTE797 KSQIEFALCR807 TQNKEKLQWL817 LDESFKGDKI827 KTQEFPQILT 837 LIGRNPVGYP847 LAWQFLRKNW857 NKLVQKFELG867 SSSIAHMVMG877 TTNQFSTRTR 887 LEEVKGFFSS897 LKENGSQLRC907 VQQTIETIEE917 NIGWMDKNFD927 KIRVWLQSE |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Targeting the Regulatory Site of ER Aminopeptidase 1 Leads to the Discovery of a Natural Product Modulator of Antigen Presentation. J Med Chem. 2020 Mar 26;63(6):3348-3358. | ||||
| REF 2 | High-Resolution Crystal Structure of Endoplasmic Reticulum Aminopeptidase 1 with Bound Phosphinic Transition-State Analogue Inhibitor. ACS Med Chem Lett. 2019 Feb 13;10(5):708-713. | ||||
| REF 3 | Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on Alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin. J Med Chem. 2022 Jul 28;65(14):10098-10117. | ||||
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