Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T65818 | Target Info | |||
| Target Name | Endoplasmic reticulum aminopeptidase 2 (ERAP2) | ||||
| Synonyms | Leukocyte-derived arginine aminopeptidase; LRAP; L-RAP | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | ERAP2 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE | Ligand Info | |||||
| Structure Description | Endoplasmic reticulum aminopeptidase 2 complexed with a hydroxamic ligand | PDB:7NSK | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
AFPVATNGER
61 FPWQELRLPS71 VVIPLHYDLF81 VHPNLTSLDF91 VASEKIEVLV101 SNATQFIILH 111 SKDLEITNAT121 LQSEEDSRYM131 KPGKELKVLS141 YPAHEQIALL151 VPEKLTPHLK 161 YYVAMDFQAK171 LGDGFEGFYK181 STYRTLGGET191 RILAVTDFEP201 TQARMAFPCF 211 DEPLFKANFS221 IKIRRESRHI231 ALSNMPKVKT241 IELEGGLLED251 HFETTVKMST 261 YLVAYIVCDF271 HSLSGFTSSG281 VKVSIYASPD291 KRNQTHYALQ301 ASLKLLDFYE 311 KYFDIYYPLS321 KLDLIAIPDF331 APGAMENWGL341 ITYRETSLLF351 DPKTSSASDK 361 LWVTRVIAHE371 LAHQWFGNLV381 TMEWWNDIWL391 NEGFAKYMEL401 IAVNATYPEL 411 QFDDYFLNVC421 FEVITKDSLN431 SSRPISKPAE441 TPTQIQEMFD451 EVSYNKGACI 461 LNMLKDFLGE471 EKFQKGIIQY481 LKKFSYRNAK491 NDDLWSSLSN501 SCLESDFTSG 511 GVCHSDPKMT521 SNMLAFLGEN531 AEVKEMMTTW541 TLQKGIPLLV551 VKQDGCSLRL 561 QQERFLQGVF571 QEDPEWRALQ581 ERYLWHIPLT591 YSTSSSNVIH601 RHILKSKTDT 611 LDLPEKTSWV621 KFNVDSNGYY631 IVHYEGHGWD641 QLITQLNQNH651 TLLRPKDRVG 661 LIHDVFQLVG671 AGRLTLDKAL681 DMTYYLQHET691 SSPALLEGLS701 YLESFYHMMD 711 RRNISDISEN721 LKRYLLQYFK731 PVIDRQSWSD741 KGSVWDRMLR751 SALLKLACDL 761 NHAPCIQKAA771 ELFSQWMESS781 GKLNIPTDVL791 KIVYSVGAQT801 TAGWNYLLEQ 811 YELSMSSAEQ821 NKILYALSTS831 KHQEKLLKLI841 ELGMEGKVIK851 TQNLAALLHA 861 IARRPKGQQL871 AWDFVRENWT881 HLLKKFDLGS891 YDIRMIISGT901 TAHFSSKDKL 911 QEVKLFFESL921 EAQGSHLDIF931 QTVLETITKN941 IKWLEKNLPT951 LRTWLMVNTR 961 HH
|
|||||
|
|
||||||
| Ligand Name: L-lysine | Ligand Info | |||||
| Structure Description | ERAP2 bound to Aryl Sulfonamide Uncompetitive Inhibitor | PDB:6EA4 | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | Yes | [2] |
| PDB Sequence |
FPVATNGERF
62 PWQELRLPSV72 VIPLHYDLFV82 HPNLTSLDFV92 ASEKIEVLVS102 NATQFIILHS 112 KDLEITNATL122 QSEEDSRYMK132 PGKELKVLSY142 PAHEQIALLV152 PEKLTPHLKY 162 YVAMDFQAKL172 GDGFEGFYKS182 TYRTLGGETR192 ILAVTDFEPT202 QARMAFPCFD 212 EPLFKANFSI222 KIRRESRHIA232 LSNMPKVKTI242 ELEGGLLEDH252 FETTVKMSTY 262 LVAYIVCDFH272 SLSGFTSSGV282 KVSIYASPDK292 RNQTHYALQA302 SLKLLDFYEK 312 YFDIYYPLSK322 LDLIAIPDFA332 PGAMENWGLI342 TYRETSLLFD352 PKTSSASDKL 362 WVTRVIAHEL372 AHQWFGNLVT382 MEWWNDIWLN392 EGFAKYMELI402 AVNATYPELQ 412 FDDYFLNVCF422 EVITKDSLNS432 SRPISKPAET442 PTQIQEMFDE452 VSYNKGACIL 462 NMLKDFLGEE472 KFQKGIIQYL482 KKFSYRNAKN492 DDLWSSLSNE530 NAEVKEMMTT 540 WTLQKGIPLL550 VVKQDGCSLR560 LQQERFLQGV570 FQEDPEWRAL580 QERYLWHIPL 590 TYSTSSSNVI600 HRHILKSKTD610 TLDLPEKTSW620 VKFNVDSNGY630 YIVHYEGHGW 640 DQLITQLNQN650 HTLLRPKDRV660 GLIHDVFQLV670 GAGRLTLDKA680 LDMTYYLQHE 690 TSSPALLEGL700 SYLESFYHMM710 DRRNISDISE720 NLKRYLLQYF730 KPVIDRQSWS 740 DKGSVWDRML750 RSALLKLACD760 LNHAPCIQKA770 AELFSQWMES780 SGKLNIPTDV 790 LKIVYSVGAQ800 TTAGWNYLLE810 QYELSMSSAE820 QNKILYALST830 SKHQEKLLKL 840 IELGMEGKVI850 KTQNLAALLH860 AIARRPKGQQ870 LAWDFVRENW880 THLLKKFDLG 890 SYDIRMIISG900 TTAHFSSKDK910 LQEVKLFFES920 LEAQGSHLDI930 FQTVLETITK 940 NIKWLEKNLP950 TLRTWLMVNT960 RHH
|
|||||
|
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1,3-Propanediol | Ligand Info | |||||
| Structure Description | Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide((1R)-1-Amino-3-phenylpropyl){(2S)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-{[3-(2-hydroxyphenyl)-isoxazol-5-yl]methyl}-3-oxopropyl}phosphinic acid | PDB:7P7P | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [3] |
| PDB Sequence |
PGAFPVATNG
59 ERFPWQELRL69 PSVVIPLHYD79 LFVHPNLTSL89 DFVASEKIEV99 LVSNATQFII 109 LHSKDLEITN119 ATLQSEEDSR129 YMKPGKELKV139 LSYPAHEQIA149 LLVPEKLTPH 159 LKYYVAMDFQ169 AKLGDGFEGF179 YKSTYRTLGG189 ETRILAVTDF199 EPTQARMAFP 209 CFDEPLFKAN219 FSIKIRRESR229 HIALSNMPKV239 KTIELEGGLL249 EDHFETTVKM 259 STYLVAYIVC269 DFHSLSGFTS279 SGVKVSIYAS289 PDKRNQTHYA299 LQASLKLLDF 309 YEKYFDIYYP319 LSKLDLIAIP329 DFAPGAMENW339 GLITYRETSL349 LFDPKTSSAS 359 DKLWVTRVIA369 HELAHQWFGN379 LVTMEWWNDI389 WLNEGFAKYM399 ELIAVNATYP 409 ELQFDDYFLN419 VCFEVITKDS429 LNSSRPISKP439 AETPTQIQEM449 FDEVSYNKGA 459 CILNMLKDFL469 GEEKFQKGII479 QYLKKFSYRN489 AKNDDLWSSL499 SNSCLESDFT 509 SGGVCHSDKM520 TSNMLAFLGE530 NAEVKEMMTT540 WTLQKGIPLL550 VVKQDGCLRL 561 QQERFLQGVF571 QEDPEWRALQ581 ERYLWHIPLT591 YSTSSSNVIH601 RHILKSKTDT 611 LDLPEKTSWV621 KFNVDSNGYY631 IVHYEGHGWD641 QLITQLNQNH651 TLLRPKDRVG 661 LIHDVFQLVG671 AGRLTLDKAL681 DMTYYLQHET691 SSPALLEGLS701 YLESFYHMMD 711 RRNISDISEN721 LKRYLLQYFK731 PVIDRQSWSD741 KGSVWDRMLR751 SALLKLACDL 761 NHAPCIQKAA771 ELFSQWMESS781 GKLNIPTDVL791 KIVYSVGAQT801 TAGWNYLLEQ 811 YELSMSSAEQ821 NKILYALSTS831 KHQEKLLKLI841 ELGMEGKVIK851 TQNLAALLHA 861 IARRPKGQQL871 AWDFVRENWT881 HLLKKFDLGS891 YDIRMIISGT901 TAHFSSKDKL 911 QEVKLFFESL921 EAQGSHLDIF931 QTVLETITKN941 IKWLEKNLPT951 LRTWLMVNTR 961 H
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PDO or .PDO2 or .PDO3 or :3PDO;style chemicals stick;color identity;select .A:678 or .A:682 or .A:951 or .A:954 or .A:955 or .A:958; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid | Ligand Info | |||||
| Structure Description | Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide((1R)-1-Amino-3-phenylpropyl){(2S)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-{[3-(2-hydroxyphenyl)-isoxazol-5-yl]methyl}-3-oxopropyl}phosphinic acid | PDB:7P7P | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [3] |
| PDB Sequence |
PGAFPVATNG
59 ERFPWQELRL69 PSVVIPLHYD79 LFVHPNLTSL89 DFVASEKIEV99 LVSNATQFII 109 LHSKDLEITN119 ATLQSEEDSR129 YMKPGKELKV139 LSYPAHEQIA149 LLVPEKLTPH 159 LKYYVAMDFQ169 AKLGDGFEGF179 YKSTYRTLGG189 ETRILAVTDF199 EPTQARMAFP 209 CFDEPLFKAN219 FSIKIRRESR229 HIALSNMPKV239 KTIELEGGLL249 EDHFETTVKM 259 STYLVAYIVC269 DFHSLSGFTS279 SGVKVSIYAS289 PDKRNQTHYA299 LQASLKLLDF 309 YEKYFDIYYP319 LSKLDLIAIP329 DFAPGAMENW339 GLITYRETSL349 LFDPKTSSAS 359 DKLWVTRVIA369 HELAHQWFGN379 LVTMEWWNDI389 WLNEGFAKYM399 ELIAVNATYP 409 ELQFDDYFLN419 VCFEVITKDS429 LNSSRPISKP439 AETPTQIQEM449 FDEVSYNKGA 459 CILNMLKDFL469 GEEKFQKGII479 QYLKKFSYRN489 AKNDDLWSSL499 SNSCLESDFT 509 SGGVCHSDKM520 TSNMLAFLGE530 NAEVKEMMTT540 WTLQKGIPLL550 VVKQDGCLRL 561 QQERFLQGVF571 QEDPEWRALQ581 ERYLWHIPLT591 YSTSSSNVIH601 RHILKSKTDT 611 LDLPEKTSWV621 KFNVDSNGYY631 IVHYEGHGWD641 QLITQLNQNH651 TLLRPKDRVG 661 LIHDVFQLVG671 AGRLTLDKAL681 DMTYYLQHET691 SSPALLEGLS701 YLESFYHMMD 711 RRNISDISEN721 LKRYLLQYFK731 PVIDRQSWSD741 KGSVWDRMLR751 SALLKLACDL 761 NHAPCIQKAA771 ELFSQWMESS781 GKLNIPTDVL791 KIVYSVGAQT801 TAGWNYLLEQ 811 YELSMSSAEQ821 NKILYALSTS831 KHQEKLLKLI841 ELGMEGKVIK851 TQNLAALLHA 861 IARRPKGQQL871 AWDFVRENWT881 HLLKKFDLGS891 YDIRMIISGT901 TAHFSSKDKL 911 QEVKLFFESL921 EAQGSHLDIF931 QTVLETITKN941 IKWLEKNLPT951 LRTWLMVNTR 961 H
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .62S or .62S2 or .62S3 or :362S;style chemicals stick;color identity;select .A:198 or .A:200 or .A:201 or .A:332 or .A:333 or .A:334 or .A:335 or .A:336 or .A:337 or .A:362 or .A:363 or .A:366 or .A:367 or .A:370 or .A:371 or .A:374 or .A:393 or .A:397 or .A:400 or .A:447 or .A:450 or .A:455 or .A:892; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP198
3.433
GLU200
2.370
PRO201
4.031
ALA332
4.217
PRO333
3.393
GLY334
2.412
ALA335
2.319
MET336
2.976
GLU337
2.465
LEU362
4.962
TRP363
3.054
ARG366
2.688
|
|||||
| Ligand Name: [(2~{S})-3-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid | Ligand Info | |||||
| Structure Description | Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide ((1R)-1-Amino-3-phenylpropyl){2-([1,1:3,1-terphenyl]-5-ylmethyl)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)-amino]-3-oxopropyl}phosphinic acid | PDB:7PFS | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [3] |
| PDB Sequence |
EDPGAFPVAT
57 NGERFPWQEL67 RLPSVVIPLH77 YDLFVHPNLT87 SLDFVASEKI97 EVLVSNATQF 107 IILHSKDLEI117 TNATLQSEED127 SRYMKPGKEL137 KVLSYPAHEQ147 IALLVPEKLT 157 PHLKYYVAMD167 FQAKLGDGFE177 GFYKSTYRTL187 GGETRILAVT197 DFEPTQARMA 207 FPCFDEPLFK217 ANFSIKIRRE227 SRHIALSNMP237 KVKTIELEGG247 LLEDHFETTV 257 KMSTYLVAYI267 VCDFHSLSGF277 TSSGVKVSIY287 ASPDKRNQTH297 YALQASLKLL 307 DFYEKYFDIY317 YPLSKLDLIA327 IPDFAPGAME337 NWGLITYRET347 SLLFDPKTSS 357 ASDKLWVTRV367 IAHELAHQWF377 GNLVTMEWWN387 DIWLNEGFAK397 YMELIAVNAT 407 YPELQFDDYF417 LNVCFEVITK427 DSLNSSRPIS437 KPAETPTQIQ447 EMFDEVSYNK 457 GACILNMLKD467 FLGEEKFQKG477 IIQYLKKFSY487 RNAKNDDLWS497 SLSNSCLESD 507 FTSGGVCHSD517 PKMTSNMLAF527 LGENAEVKEM537 MTTWTLQKGI547 PLLVVKQDGC 557 SLRLQQERFL567 QGVFQEDPEW577 RALQERYLWH587 IPLTYSTSSS597 NVIHRHILKS 607 KTDTLDLPEK617 TSWVKFNVDS627 NGYYIVHYEG637 HGWDQLITQL647 NQNHTLLRPK 657 DRVGLIHDVF667 QLVGAGRLTL677 DKALDMTYYL687 QHETSSPALL697 EGLSYLESFY 707 HMMDRRNISD717 ISENLKRYLL727 QYFKPVIDRQ737 SWSDKGSVWD747 RMLRSALLKL 757 ACDLNHAPCI767 QKAAELFSQW777 MESSGKLNIP787 TDVLKIVYSV797 GAQTTAGWNY 807 LLEQYELSMS817 SAEQNKILYA827 LSTSKHQEKL837 LKLIELGMEG847 KVIKTQNLAA 857 LLHAIARRPK867 GQQLAWDFVR877 ENWTHLLKKF887 DLGSYDIRMI897 ISGTTAHFSS 907 KDKLQEVKLF917 FESLEAQGSH927 LDIFQTVLET937 ITKNIKWLEK947 NLPTLRTWLM 957 VNTRHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7OO or .7OO2 or .7OO3 or :37OO;style chemicals stick;color identity;select .A:198 or .A:200 or .A:201 or .A:332 or .A:333 or .A:334 or .A:335 or .A:336 or .A:337 or .A:345 or .A:363 or .A:367 or .A:370 or .A:371 or .A:374 or .A:393 or .A:397 or .A:447 or .A:450 or .A:451 or .A:452 or .A:455 or .A:456 or .A:892 or .A:895; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP198
4.241
GLU200
2.443
PRO201
3.816
ALA332
3.904
PRO333
2.504
GLY334
3.846
ALA335
2.432
MET336
3.301
GLU337
2.504
ARG345
2.976
TRP363
2.878
VAL367
4.675
HIS370
3.022
|
|||||
| Ligand Name: (2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide | Ligand Info | |||||
| Structure Description | Endoplasmic reticulum aminopeptidase 2 complexed with a hydroxamic ligand | PDB:7NSK | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
AFPVATNGER
61 FPWQELRLPS71 VVIPLHYDLF81 VHPNLTSLDF91 VASEKIEVLV101 SNATQFIILH 111 SKDLEITNAT121 LQSEEDSRYM131 KPGKELKVLS141 YPAHEQIALL151 VPEKLTPHLK 161 YYVAMDFQAK171 LGDGFEGFYK181 STYRTLGGET191 RILAVTDFEP201 TQARMAFPCF 211 DEPLFKANFS221 IKIRRESRHI231 ALSNMPKVKT241 IELEGGLLED251 HFETTVKMST 261 YLVAYIVCDF271 HSLSGFTSSG281 VKVSIYASPD291 KRNQTHYALQ301 ASLKLLDFYE 311 KYFDIYYPLS321 KLDLIAIPDF331 APGAMENWGL341 ITYRETSLLF351 DPKTSSASDK 361 LWVTRVIAHE371 LAHQWFGNLV381 TMEWWNDIWL391 NEGFAKYMEL401 IAVNATYPEL 411 QFDDYFLNVC421 FEVITKDSLN431 SSRPISKPAE441 TPTQIQEMFD451 EVSYNKGACI 461 LNMLKDFLGE471 EKFQKGIIQY481 LKKFSYRNAK491 NDDLWSSLSN501 SCLESDFTSG 511 GVCHSDPKMT521 SNMLAFLGEN531 AEVKEMMTTW541 TLQKGIPLLV551 VKQDGCSLRL 561 QQERFLQGVF571 QEDPEWRALQ581 ERYLWHIPLT591 YSTSSSNVIH601 RHILKSKTDT 611 LDLPEKTSWV621 KFNVDSNGYY631 IVHYEGHGWD641 QLITQLNQNH651 TLLRPKDRVG 661 LIHDVFQLVG671 AGRLTLDKAL681 DMTYYLQHET691 SSPALLEGLS701 YLESFYHMMD 711 RRNISDISEN721 LKRYLLQYFK731 PVIDRQSWSD741 KGSVWDRMLR751 SALLKLACDL 761 NHAPCIQKAA771 ELFSQWMESS781 GKLNIPTDVL791 KIVYSVGAQT801 TAGWNYLLEQ 811 YELSMSSAEQ821 NKILYALSTS831 KHQEKLLKLI841 ELGMEGKVIK851 TQNLAALLHA 861 IARRPKGQQL871 AWDFVRENWT881 HLLKKFDLGS891 YDIRMIISGT901 TAHFSSKDKL 911 QEVKLFFESL921 EAQGSHLDIF931 QTVLETITKN941 IKWLEKNLPT951 LRTWLMVNTR 961 HH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UQE or .UQE2 or .UQE3 or :3UQE;style chemicals stick;color identity;select .A:198 or .A:200 or .A:201 or .A:333 or .A:334 or .A:335 or .A:336 or .A:337 or .A:363 or .A:367 or .A:370 or .A:371 or .A:374 or .A:393 or .A:397 or .A:400 or .A:447 or .A:450 or .A:451 or .A:452 or .A:455 or .A:890 or .A:891 or .A:892 or .A:895; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP198
4.595
GLU200
3.504
PRO201
4.529
PRO333
3.188
GLY334
3.942
ALA335
3.207
MET336
4.241
GLU337
2.692
TRP363
4.478
VAL367
4.008
HIS370
3.266
GLU371
3.592
HIS374
2.794
|
|||||
| Ligand Name: (3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide | Ligand Info | |||||
| Structure Description | Endoplasmic reticulum aminopeptidase 2 complexed with a mixed hydroxamic and sulfonyl ligand | PDB:7NUP | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [4] |
| PDB Sequence |
DPGAFPVATN
58 GERFPWQELR68 LPSVVIPLHY78 DLFVHPNLTS88 LDFVASEKIE98 VLVSNATQFI 108 ILHSKDLEIT118 NATLQSEEDS128 RYMKPGKELK138 VLSYPAHEQI148 ALLVPEKLTP 158 HLKYYVAMDF168 QAKLGDGFEG178 FYKSTYRTLG188 GETRILAVTD198 FEPTQARMAF 208 PCFDEPLFKA218 NFSIKIRRES228 RHIALSNMPK238 VKTIELEGGL248 LEDHFETTVK 258 MSTYLVAYIV268 CDFHSLSGFT278 SSGVKVSIYA288 SPDKRNQTHY298 ALQASLKLLD 308 FYEKYFDIYY318 PLSKLDLIAI328 PDFAPGAMEN338 WGLITYRETS348 LLFDPKTSSA 358 SDKLWVTRVI368 AHELAHQWFG378 NLVTMEWWND388 IWLNEGFAKY398 MELIAVNATY 408 PELQFDDYFL418 NVCFEVITKD428 SLNSSRPISK438 PAETPTQIQE448 MFDEVSYNKG 458 ACILNMLKDF468 LGEEKFQKGI478 IQYLKKFSYR488 NAKNDDLWSS498 LSNSCLESDF 508 TSGGVCHSDP518 KMTSNMLAFL528 GENAEVKEMM538 TTWTLQKGIP548 LLVVKQDGCS 558 LRLQQERFLQ568 GVFQEDPEWR578 ALQERYLWHI588 PLTYSTSSSN598 VIHRHILKSK 608 TDTLDLPEKT618 SWVKFNVDSN628 GYYIVHYEGH638 GWDQLITQLN648 QNHTLLRPKD 658 RVGLIHDVFQ668 LVGAGRLTLD678 KALDMTYYLQ688 HETSSPALLE698 GLSYLESFYH 708 MMDRRNISDI718 SENLKRYLLQ728 YFKPVIDRQS738 WSDKGSVWDR748 MLRSALLKLA 758 CDLNHAPCIQ768 KAAELFSQWM778 ESSGKLNIPT788 DVLKIVYSVG798 AQTTAGWNYL 808 LEQYELSMSS818 AEQNKILYAL828 STSKHQEKLL838 KLIELGMEGK848 VIKTQNLAAL 858 LHAIARRPKG868 QQLAWDFVRE878 NWTHLLKKFD888 LGSYDIRMII898 SGTTAHFSSK 908 DKLQEVKLFF918 ESLEAQGSHL928 DIFQTVLETI938 TKNIKWLEKN948 LPTLRTWLMV 958 NTRHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .USK or .USK2 or .USK3 or :3USK;style chemicals stick;color identity;select .A:333 or .A:334 or .A:335 or .A:336 or .A:337 or .A:345 or .A:347 or .A:348 or .A:363 or .A:366 or .A:367 or .A:370 or .A:371 or .A:374 or .A:393 or .A:397 or .A:447 or .A:450 or .A:455 or .A:456 or .A:890 or .A:891 or .A:892 or .A:895; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO333
4.716
GLY334
3.201
ALA335
2.877
MET336
4.830
GLU337
3.150
ARG345
3.720
THR347
4.798
SER348
3.927
TRP363
3.361
ARG366
4.788
VAL367
4.280
HIS370
2.972
|
|||||
| Ligand Name: Nalpha-[(2s)-2-{[[(1r)-1-Amino-3-Phenylpropyl](Hydroxy)phosphoryl]methyl}-4-Methylpentanoyl]-L-Tryptophanamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human Endoplasmic Reticulum Aminopeptidase 2 in complex with PHOSPHINIC PSEUDOTRIPEPTIDE inhibitor. | PDB:4JBS | ||||
| Method | X-ray diffraction | Resolution | 2.79 Å | Mutation | No | [5] |
| PDB Sequence |
PVATNGERFP
63 WQELRLPSVV73 IPLHYDLFVH83 PNLTSLDFVA93 SEKIEVLVSN103 ATQFIILHSK 113 DLEITNATLQ123 SEEYMKPGKE136 LKVLSYPAHE146 QIALLVPEKL156 TPHLKYYVAM 166 DFQAKLGDGF176 EGFYKSTYRT186 LGGETRILAV196 TDFEPTQARM206 AFPCFDEPLF 216 KANFSIKIRR226 ESRHIALSNM236 PKVKTIELEG246 GLLEDHFETT256 VKMSTYLVAY 266 IVCDFHSLSG276 FTSSGVKVSI286 YASPDKRNQT296 HYALQASLKL306 LDFYEKYFDI 316 YYPLSKLDLI326 AIPDFAPGAM336 ENWGLITYRE346 TSLLFDPKTS356 SASDKLWVTR 366 VIAHELAHQW376 FGNLVTMEWW386 NDIWLKEGFA396 KYMELIAVNA406 TYPELQFDDY 416 FLNVCFEVIT426 KDSLNSSRPI436 SKPAETPTQI446 QEMFDEVSYN456 KGACILNMLK 466 DFLGEEKFQK476 GIIQYLKKFS486 YRNAKNDDLW496 SSLSNSLGEN531 AEVKEMMTTW 541 TLQKGIPLLV551 VKQDGCSLRL561 QQERFLQGQE582 RYLWHIPLTY592 STSSSNVIHR 602 HILKSKTDTL612 DLPEKTSWVK622 FNVDSNGYYI632 VHYEGHGWDQ642 LITQLNQNHT 652 LLRPKDRVGL662 IHDVFQLVGA672 GRLTLDKALD682 MTYYLQHETS692 SPALLEGLSY 702 LESFYHMMDR712 RNISDISENL722 KRYLLQYFKP732 VIDRQSWSDK742 GSVWDRMLRS 752 ALLKLACDLN762 HAPCIQKAAE772 LFSQWMESSG782 KLNIPTDVLK792 IVYSVGAQTT 802 AGWNYLLEQY812 ELSMSSAEQN822 KILYALSTSK832 HQEKLLKLIE842 LGMEGKVIKT 852 QNLAALLHAI862 ARRPKGQQLA872 WDFVRENWTH882 LLKKFDLGSY892 DIRMIISGTT 902 AHFSSKDKLQ912 EVKLFFESLE922 AQGSHLDIFQ932 TVLETITKNI942 KWLEKNLPTL 952 RTWLMVNTR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P52 or .P522 or .P523 or :3P52;style chemicals stick;color identity;select .A:200 or .A:201 or .A:333 or .A:334 or .A:335 or .A:336 or .A:337 or .A:363 or .A:367 or .A:370 or .A:371 or .A:374 or .A:392 or .A:393 or .A:400 or .A:450 or .A:451 or .A:452 or .A:455 or .A:892 or .A:895; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU200
2.806
PRO201
4.159
PRO333
4.101
GLY334
3.245
ALA335
2.880
MET336
3.725
GLU337
2.718
TRP363
4.714
VAL367
3.673
HIS370
3.374
GLU371
2.919
|
|||||
| Ligand Name: (2s)-N~1~-Benzyl-2-[(4-Fluorophenyl)methyl]-N~3~-Hydroxypropanediamide | Ligand Info | |||||
| Structure Description | Crystal structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) in complex with a hydroxamic derivative ligand | PDB:5J6S | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [6] |
| PDB Sequence |
FPVATNGERF
62 PWQELRLPSV72 VIPLHYDLFV82 HPNLTSLDFV92 ASEKIEVLVS102 NATQFIILHS 112 KDLEITNATL122 QSEEDSRYMK132 PGKELKVLSY142 PAHEQIALLV152 PEKLTPHLKY 162 YVAMDFQAKL172 GDGFEGFYKS182 TYRTLGGETR192 ILAVTDFEPT202 QARMAFPCFD 212 EPLFKANFSI222 KIRRESRHIA232 LSNMPKVKTI242 ELEGGLLEDH252 FETTVKMSTY 262 LVAYIVCDFH272 SLSGFTSSGV282 KVSIYASPDK292 RNQTHYALQA302 SLKLLDFYEK 312 YFDIYYPLSK322 LDLIAIPDFA332 PGAMENWGLI342 TYRETSLLFD352 PKTSSASDKL 362 WVTRVIAHEL372 AHQWFGNLVT382 MEWWNDIWLN392 EGFAKYMELI402 AVNATYPELQ 412 FDDYFLNVCF422 EVITKDSLNS432 SRPISKPAET442 PTQIQEMFDE452 VSYNKGACIL 462 NMLKDFLGEE472 KFQKGIIQYL482 KKFSYRNAKN492 DDLWSSLSNS502 CLESDFTSGG 512 VCHSDPKMTS522 NMLAFLGENA532 EVKEMMTTWT542 LQKGIPLLVV552 KQDGCSLRLQ 562 QERFLQGVFQ572 EDPEWRALQE582 RYLWHIPLTY592 STSSSNVIHR602 HILKSKTDTL 612 DLPEKTSWVK622 FNVDSNGYYI632 VHYEGHGWDQ642 LITQLNQNHT652 LLRPKDRVGL 662 IHDVFQLVGA672 GRLTLDKALD682 MTYYLQHETS692 SPALLEGLSY702 LESFYHMMDR 712 RNISDISENL722 KRYLLQYFKP732 VIDRQSWSDK742 GSVWDRMLRS752 ALLKLACDLN 762 HAPCIQKAAE772 LFSQWMESSG782 KLNIPTDVLK792 IVYSVGAQTT802 AGWNYLLEQY 812 ELSMSSAEQN822 KILYALSTSK832 HQEKLLKLIE842 LGMEGKVIKT852 QNLAALLHAI 862 ARRPKGQQLA872 WDFVRENWTH882 LLKKFDLGSY892 DIRMIISGTT902 AHFSSKDKLQ 912 EVKLFFESLE922 AQGSHLDIFQ932 TVLETITKNI942 KWLEKNLPTL952 RTWLMVNTRH 962
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6GA or .6GA2 or .6GA3 or :36GA;style chemicals stick;color identity;select .A:200 or .A:201 or .A:333 or .A:334 or .A:335 or .A:336 or .A:337 or .A:370 or .A:371 or .A:374 or .A:393 or .A:450 or .A:451 or .A:452 or .A:455 or .A:892; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Methyl N-[4-Amino-3-(L-Arginylamino)benzene-1-Carbonyl]-L-Tyrosinate | Ligand Info | |||||
| Structure Description | Crystal structure of Endoplasmic Reticulum aminopeptidase 2 (ERAP2) in complex with a diaminobenzoic acid derivative ligand. | PDB:5K1V | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [6] |
| PDB Sequence |
PVATNGERFP
63 WQELRLPSVV73 IPLHYDLFVH83 PNLTSLDFVA93 SEKIEVLVSN103 ATQFIILHSK 113 DLEITNATLQ123 SEEDSRYMKP133 GKELKVLSYP143 AHEQIALLVP153 EKLTPHLKYY 163 VAMDFQAKLG173 DGFEGFYKST183 YRTLGGETRI193 LAVTDFEPTQ203 ARMAFPCFDE 213 PLFKANFSIK223 IRRESRHIAL233 SNMPKVKTIE243 LEGGLLEDHF253 ETTVKMSTYL 263 VAYIVCDFHS273 LSGFTSSGVK283 VSIYASPDKR293 NQTHYALQAS303 LKLLDFYEKY 313 FDIYYPLSKL323 DLIAIPDFAP333 GAMENWGLIT343 YRETSLLFDP353 KTSSASDKLW 363 VTRVIAHELA373 HQWFGNLVTM383 EWWNDIWLKE393 GFAKYMELIA403 VNATYPELQF 413 DDYFLNVCFE423 VITKDSLNSS433 RPISKPAETP443 TQIQEMFDEV453 SYNKGACILN 463 MLKDFLGEEK473 FQKGIIQYLK483 KFSYRNAKND493 DLWSSLSNSC503 GVCHSMTSNM 524 LAFLGENAEV534 KEMMTTWTLQ544 KGIPLLVVKQ554 DGCSLRLQQE564 RFLQGVFQED 574 PEWRALQERY584 LWHIPLTYST594 SSSNVIHRHI604 LKSKTDTLDL614 PEKTSWVKFN 624 VDSNGYYIVH634 YEGHGWDQLI644 TQLNQNHTLL654 RPKDRVGLIH664 DVFQLVGAGR 674 LTLDKALDMT684 YYLQHETSSP694 ALLEGLSYLE704 SFYHMMDRRN714 ISDISENLKR 724 YLLQYFKPVI734 DRQSWSDKGS744 VWDRMLRSAL754 LKLACDLNHA764 PCIQKAAELF 774 SQWMESSGKL784 NIPTDVLKIV794 YSVGAQTTAG804 WNYLLEQYEL814 SMSSAEQNKI 824 LYALSTSKHQ834 EKLLKLIELG844 MEGKVIKTQN854 LAALLHAIAR864 RPKGQQLAWD 874 FVRENWTHLL884 KKFDLGSYDI894 RMIISGTTAH904 FSSKDKLQEV914 KLFFESLEAQ 924 GSHLDIFQTV934 LETITKNIKW944 LEKNLPTLRT954 WLMVNTRHHH964 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6PX or .6PX2 or .6PX3 or :36PX;style chemicals stick;color identity;select .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:332 or .A:333 or .A:334 or .A:335 or .A:336 or .A:337 or .A:345 or .A:363 or .A:367 or .A:370 or .A:371 or .A:374 or .A:392 or .A:393 or .A:397 or .A:450 or .A:451 or .A:452 or .A:455 or .A:456 or .A:892; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP198
2.816
PHE199
4.697
GLU200
2.706
PRO201
4.806
GLN203
4.858
ALA332
3.564
PRO333
3.252
GLY334
3.520
ALA335
3.343
MET336
3.929
GLU337
3.176
ARG345
4.126
TRP363
4.110
|
|||||
| Ligand Name: (2S)-N-hydroxy-3-(4-methoxyphenyl)-2-[4-({[5-(pyridin-2-yl)thiophene-2-sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propanamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 2 (ERAP2) COMPLEX WITH A HIGHLY SELECTIVE AND POTENT SMALL MOLECULE | PDB:7SH0 | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | Yes | [7] |
| PDB Sequence |
PVATNGERFP
63 WQELRLPSVV73 IPLHYDLFVH83 PNLTSLDFVA93 SEKIEVLVSN103 ATQFIILHSK 113 DLEITNATLQ123 SEEDSRYMKP133 GKELKVLSYP143 AHEQIALLVP153 EKLTPHLKYY 163 VAMDFQAKLG173 DGFEGFYKST183 YRTLGGETRI193 LAVTDFEPTQ203 ARMAFPCFDE 213 PLFKANFSIK223 IRRESRHIAL233 SNMPKVKTIE243 LEGGLLEDHF253 ETTVKMSTYL 263 VAYIVCDFHS273 LSGFTSSGVK283 VSIYASPDKR293 NQTHYALQAS303 LKLLDFYEKY 313 FDIYYPLSKL323 DLIAIPDFAP333 GAMENWGLIT343 YRETSLLFDP353 KTSSASDKLW 363 VTRVIAHELA373 HQWFGNLVTM383 EWWNDIWLNE393 GFAKYMELIA403 VNATYPELQF 413 DDYFLNVCFE423 VITKDSLNSS433 RPISKPAETP443 TQIQEMFDEV453 SYNKGACILN 463 MLKDFLGEEK473 FQKGIIQYLK483 KFSYRNAKND493 DLWSSLSNSC503 LEMTSNMLAF 527 LGENAEVKEM537 MTTWTLQKGI547 PLLVVKQDGC557 SLRLQQERFL567 QGVFQEDPEW 577 RALQERYLWH587 IPLTYSTSSS597 NVIHRHILKS607 KTDTLDLPEK617 TSWVKFNVDS 627 NGYYIVHYEG637 HGWDQLITQL647 NQNHTLLRPK657 DRVGLIHDVF667 QLVGAGRLTL 677 DKALDMTYYL687 QHETSSPALL697 EGLSYLESFY707 HMMDRRNISD717 ISENLKRYLL 727 QYFKPVIDRQ737 SWSDKGSVWD747 RMLRSALLKL757 ACDLNHAPCI767 QKAAELFSQW 777 MESSGKLNIP787 TDVLKIVYSV797 GAQTTAGWNY807 LLEQYELSMS817 SAEQNKILYA 827 LSTSKHQEKL837 LKLIELGMEG847 KVIKTQNLAA857 LLHAIARRPK867 GQQLAWDFVR 877 ENWTHLLKKF887 DLGSYDIRMI897 ISGTTAHFSS907 KDKLQEVKLF917 FESLEAQGSH 927 LDIFQTVLET937 ITKNIKWLEK947 NLPTLRTWLM957 VNTRHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GIY or .GIY2 or .GIY3 or :3GIY;style chemicals stick;color identity;select .A:198 or .A:200 or .A:201 or .A:333 or .A:334 or .A:335 or .A:336 or .A:337 or .A:363 or .A:366 or .A:367 or .A:370 or .A:371 or .A:374 or .A:393 or .A:397 or .A:400 or .A:447 or .A:450 or .A:455 or .A:890 or .A:891 or .A:892 or .A:895; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP198
4.739
GLU200
3.605
PRO201
4.253
PRO333
3.338
GLY334
4.097
ALA335
3.393
MET336
4.271
GLU337
2.586
TRP363
3.888
ARG366
4.229
VAL367
3.850
HIS370
3.504
|
|||||
| Ligand Name: 4-Methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid | Ligand Info | |||||
| Structure Description | ERAP2 bound to Aryl Sulfonamide Uncompetitive Inhibitor | PDB:6EA4 | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | Yes | [2] |
| PDB Sequence |
FPVATNGERF
62 PWQELRLPSV72 VIPLHYDLFV82 HPNLTSLDFV92 ASEKIEVLVS102 NATQFIILHS 112 KDLEITNATL122 QSEEDSRYMK132 PGKELKVLSY142 PAHEQIALLV152 PEKLTPHLKY 162 YVAMDFQAKL172 GDGFEGFYKS182 TYRTLGGETR192 ILAVTDFEPT202 QARMAFPCFD 212 EPLFKANFSI222 KIRRESRHIA232 LSNMPKVKTI242 ELEGGLLEDH252 FETTVKMSTY 262 LVAYIVCDFH272 SLSGFTSSGV282 KVSIYASPDK292 RNQTHYALQA302 SLKLLDFYEK 312 YFDIYYPLSK322 LDLIAIPDFA332 PGAMENWGLI342 TYRETSLLFD352 PKTSSASDKL 362 WVTRVIAHEL372 AHQWFGNLVT382 MEWWNDIWLN392 EGFAKYMELI402 AVNATYPELQ 412 FDDYFLNVCF422 EVITKDSLNS432 SRPISKPAET442 PTQIQEMFDE452 VSYNKGACIL 462 NMLKDFLGEE472 KFQKGIIQYL482 KKFSYRNAKN492 DDLWSSLSNE530 NAEVKEMMTT 540 WTLQKGIPLL550 VVKQDGCSLR560 LQQERFLQGV570 FQEDPEWRAL580 QERYLWHIPL 590 TYSTSSSNVI600 HRHILKSKTD610 TLDLPEKTSW620 VKFNVDSNGY630 YIVHYEGHGW 640 DQLITQLNQN650 HTLLRPKDRV660 GLIHDVFQLV670 GAGRLTLDKA680 LDMTYYLQHE 690 TSSPALLEGL700 SYLESFYHMM710 DRRNISDISE720 NLKRYLLQYF730 KPVIDRQSWS 740 DKGSVWDRML750 RSALLKLACD760 LNHAPCIQKA770 AELFSQWMES780 SGKLNIPTDV 790 LKIVYSVGAQ800 TTAGWNYLLE810 QYELSMSSAE820 QNKILYALST830 SKHQEKLLKL 840 IELGMEGKVI850 KTQNLAALLH860 AIARRPKGQQ870 LAWDFVRENW880 THLLKKFDLG 890 SYDIRMIISG900 TTAHFSSKDK910 LQEVKLFFES920 LEAQGSHLDI930 FQTVLETITK 940 NIKWLEKNLP950 TLRTWLMVNT960 RHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J2G or .J2G2 or .J2G3 or :3J2G;style chemicals stick;color identity;select .A:332 or .A:333 or .A:334 or .A:335 or .A:345 or .A:347 or .A:348 or .A:363 or .A:366 or .A:367 or .A:370 or .A:371 or .A:397 or .A:400 or .A:857 or .A:892 or .A:896; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Endoplasmic reticulum aminopeptidase 2 in complex with a phosphinic ligand | ||||
| REF 2 | Crystal structure of human ER aminopeptidase 1 bound to aryl sulfonamide inhibitor. | ||||
| REF 3 | Inhibitor-Dependent Usage of the S1' Specificity Pocket of ER Aminopeptidase 2. ACS Med Chem Lett. 2022 Jan 13;13(2):218-224. | ||||
| REF 4 | Endoplasmic reticulum aminopeptidase 2 complexed with a mixed hydroxamic and sulfonyl ligand | ||||
| REF 5 | Rationally designed inhibitor targeting antigen-trimming aminopeptidases enhances antigen presentation and cytotoxic T-cell responses. Proc Natl Acad Sci U S A. 2013 Dec 3;110(49):19890-5. | ||||
| REF 6 | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency. ACS Med Chem Lett. 2017 Feb 21;8(3):333-337. | ||||
| REF 7 | Discovery of the First Selective Nanomolar Inhibitors of ERAP2 by Kinetic Target-Guided Synthesis. Angew Chem Int Ed Engl. 2022 Sep 26;61(39):e202203560. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.