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 | Bestatin | Ligand Info | |||
| Canonical SMILES | CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O | ||||
| InChI | 1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1 | ||||
| InChIKey | VGGGPCQERPFHOB-RDBSUJKOSA-N | ||||
| PubChem Compound ID | 72172 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3MDJ ER Aminopeptidase, ERAP1, Bound to the Zinc Aminopeptidase Inhibitor, Bestatin | ||||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [1] |
| PDB Sequence |
PFPWNKIRLP
55 EYVIPVHYDL65 LIHANLTTLT75 FWGTTKVEIT85 ASQPTSTIIL95 HSHHLQISRA 105 TLRKGRLSEE118 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 SSASSKLDIT348 MTVAHELAHQ 358 WFGNLVTMEW368 WNDLWLNEGF378 AKFMEFVSVS388 VTHPELKVGD398 YFFGKCFDAM 408 EVDALNSSDD435 VSYDKGACIL445 NMLREYLSAD455 AFKSGIVQYL465 QKHSYKNTKN 475 EDLWDSMASI485 VDVKTMMNTW524 TLQRGFPLIT534 ITVRGRNVHM544 KQEHYMKAPD 558 TGYLWHVPLT568 FITSKSDMVH578 RFLLKTKTDV588 LILPEEVEWI598 KFNVGMNGYY 608 IVHYEDDGWD618 SLTGLLKGTH628 TAVSSNDRAS638 LINNAFQLVS648 IGKLSIEKAL 658 DLSLYLKHET668 EIMPVFQGLN678 ELIPMYKLME688 KRDMNEVETQ698 FKAFLIRLLR 708 DLIDKQTWTD718 EGSVSERMLR728 SELLLLACVH738 NYQPCVQRAE748 GYFRKWKESN 758 GNLSLPVDVT768 LAVFAVGAQS778 TEGWDFLYSK788 YQFSLSSTEK798 SQIEFALCRT 808 QNKEKLQWLL818 DESFKGDKIK828 TQEFPQILTL838 IGRNPVGYPL848 AWQFLRKNWN 858 KLVQKSSSIA872 HMVMGTTNQF882 STRTRLEEVK892 CVQQTIETIE916 ENIGWMDKNF 926 DKIRVWLQ
|
|||||
|
|
||||||
| PDB ID: 2YD0 Crystal structure of the soluble domain of human endoplasmic reticulum aminopeptidase 1 ERAP1 | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [2] |
| PDB Sequence |
PFPWNKIRLP
55 EYVIPVHYDL65 LIHANLTTLT75 FWGTTKVEIT85 ASQPTSTIIL95 HSHHLQISRA 105 TLRKGLSEEP119 LQVLEHPRQE129 QIALLAPEPL139 LVGLPYTVVI149 HYAGNLSETF 159 HGFYKSTYRT169 KEGELRILAS179 TQFEPTAARM189 AFPCFDEPAF199 KASFSIKIRR 209 EPRHLAISNM219 PLVKSVTVAE229 GLIEDHFDVT239 VKMSTYLVAF249 IISDFESVSK 259 ITKSGVKVSV269 YAVPDKINQA279 DYALDAAVTL289 LEFYEDYFSI299 PYPLPKQDLA 309 AIPDFQSGAM319 ENWGLTTYRE329 SALLFDAEKS339 SASSKLGITM349 TVAHELAHQW 359 FGNLVTMEWW369 NDLWLNEGFA379 KFMEFVSVSV389 THPELKVGDY399 FFGKCFDAME 409 VDALNSSHPV419 STPVENPAQI429 REMFDDVSYD439 KGACILNMLR449 EYLSADAFKS 459 GIVQYLQKHS469 YKNTKNEDLW479 DSMASIGVDV517 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 LQSEKLER |
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for antigenic peptide precursor processing by the endoplasmic reticulum aminopeptidase ERAP1. Nat Struct Mol Biol. 2011 May;18(5):604-13. | ||||
| REF 2 | Crystal structures of the endoplasmic reticulum aminopeptidase-1 (ERAP1) reveal the molecular basis for N-terminal peptide trimming. Proc Natl Acad Sci U S A. 2011 May 10;108(19):7745-50. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.