Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T48703 | Target Info | |||
| Target Name | Toll-like receptor 8 (TLR8) | ||||
| Synonyms | UNQ249/PRO286; CD288 antigen; CD288 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | TLR8 | ||||
| Biochemical Class | Toll-like receptor | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Uridine | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with uridine mononucleoside | PDB:4R0A | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
RSYPCDEKKQ
41 NDSVIAECSN51 RRLQEVPQTV61 GKYVTELDLS71 DNFITHITNE81 SFQGLQNLTK 91 INLNHNPNVG113 LNITDGAFLN123 LKNLRELLLE133 DNQLPQIPSG143 LPESLTELSL 153 IQNNIYNITK163 EGISRLINLK173 NLYLAWNCYF183 NKVCEKTNIE193 DGVFETLTNL 203 ELLSLSFNSL213 SHVPPKLPSS223 LRKLFLSNTQ233 IKYISEEDFK243 GLINLTLLDL 253 SGNCPRCFNA263 PFPCVPCDGG273 ASINIDRFAF283 QNLTQLRYLN293 LSSTSLRKIN 303 AAWFKNMPHL313 KVLDLEFNYL323 VGEIASGAFL333 TMLPRLEILD343 LSFNYIKGSY 353 PQHINISRNF363 SKLLSLRALH373 LRGYVFQELR383 EDDFQPLMQL393 PNLSTINLGI 403 NFIKQIDFKL413 FQNFSNLEII423 YLSENRISPL433 EFDPHSNFYH469 FTRPLIKPQC 479 AAYGKALDLS489 LNSIFFIGPN499 QFENLPDIAC509 LNLSANSNAQ519 VLSGTEFSAI 529 PHVKYLDLTN539 NRLDFDNASA549 LTELSDLEVL559 DLSYNSHYFR569 IAGVTHHLEF 579 IQNFTNLKVL589 NLSHNNIYTL599 TDKYNLESKS609 LVELVFSGNR619 LDILWNDDDN 629 RYISIFKGLK639 NLTRLDLSLN649 RLKHIPNEAF659 LNLPASLTEL669 HINDNMLKFF 679 NWTLLQQFPR689 LELLDLRGNK699 LLFLTDSLSD709 FTSSLRTLLL719 SHNRISHLPS 729 GFLSEVSSLK739 HLDLSSNLLK749 TINKSALETK759 TTTKLSMLEL769 HGNPFECTCD 779 IGDFRRWMDE789 HLNVKIPRLV799 DVICASPGDQ809 RGKSIVSL
|
|||||
|
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Resiquimod | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 3 | PDB:3W3N | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
SRSYPCDEKK
40 QNDSVIAECS50 NRRLQEVPQT60 VGKYVTELDL70 SDNFITHITN80 ESFQGLQNLT 90 KINLNHNPNV100 GLNITDGAFL122 NLKNLRELLL132 EDNQLPQIPS142 GLPESLTELS 152 LIQNNIYNIT162 KEGISRLINL172 KNLYLAWNCY182 FNKVCEKTNI192 EDGVFETLTN 202 LELLSLSFNS212 LSHVPPKLPS222 SLRKLFLSNT232 QIKYISEEDF242 KGLINLTLLD 252 LSGNCPRCFN262 APFPCVPCDG272 GASINIDRFA282 FQNLTQLRYL292 NLSSTSLRKI 302 NAAWFKNMPH312 LKVLDLEFNY322 LVGEIASGAF332 LTMLPRLEIL342 DLSFNYIKGS 352 YPQHINISRN362 FSKLLSLRAL372 HLRGYVFQEL382 REDDFQPLMQ392 LPNLSTINLG 402 INFIKQIDFK412 LFQNFSNLEI422 IYLSENRISP432 LFEFDPHSNF467 YHFTRPLIKP 477 QCAAYGKALD487 LSLNSIFFIG497 PNQFENLPDI507 ACLNLSANSN517 AQVLSGTEFS 527 AIPHVKYLDL537 TNNRLDFDNA547 SALTELSDLE557 VLDLSYNSHY567 FRIAGVTHHL 577 EFIQNFTNLK587 VLNLSHNNIY597 TLTDKYNLES607 KSLVELVFSG617 NRLDILWNDD 627 DNRYISIFKG637 LKNLTRLDLS647 LNRLKHIPNE657 AFLNLPASLT667 ELHINDNMLK 677 FFNWTLLQQF687 PRLELLDLRG697 NKLLFLTDSL707 SDFTSSLRTL717 LLSHNRISHL 727 PSGFLSEVSS737 LKHLDLSSNL747 LKTINKSALE757 TKTTTKLSML767 ELHGNPFECT 777 CDIGDFRRWM787 DEHLNVKIPR797 LVDVICASPG807 DQRGKSIVSL817 E |
|||||
|
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Selgantolimod | Ligand Info | |||||
| Structure Description | Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod) | PDB:6WML | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [3] |
| PDB Sequence |
SRSYPCDEKV
45 IAECSNRRLQ55 EVPQTVGKYV65 TELDLSDNFI75 THITNESFQG85 LQNLTKINLN 95 HNPNVGLNIT117 DGAFLNLKNL127 RELLLEDNQL137 PQIPSGLPES147 LTELSLIQNN 157 IYNITKEGIS167 RLINLKNLYL177 AWNCYFNKVC187 EKTNIEDGVF197 ETLTNLELLS 207 LSFNSLSHVP217 PKLPSSLRKL227 FLSNTQIKYI237 SEEDFKGLIN247 LTLLDLSGNC 257 PRCFNAPFPC267 VPCDGGASIN277 IDRFAFQNLT287 QLRYLNLSST297 SLRKINAAWF 307 KNMPHLKVLD317 LEFNYLVGEI327 ASGAFLTMLP337 RLEILDLSFN347 YIKGSYPQHI 357 NISRNFSKLL367 SLRALHLRGY377 VFQELREDDF387 QPLMQLPNLS397 TINLGINFIK 407 QIDFKLFQNF417 SNLEIIYLSE427 NRISPLFEFD462 PHSNFYHFTR472 PLIKPQCAAY 482 GKALDLSLNS492 IFFIGPNQFE502 NLPDIACLNL512 SANSNAQVLS522 GTEFSAIPHV 532 KYLDLTNNRL542 DFDNASALTE552 LSDLEVLDLS562 YNSHYFRIAG572 VTHHLEFIQN 582 FTNLKVLNLS592 HNNIYTLTDK602 YNLESKSLVE612 LVFSGNRLDI622 LWNDDDNRYI 632 SIFKGLKNLT642 RLDLSLNRLK652 HIPNEAFLNL662 PASLTELHIN672 DNMLKFFNWT 682 LLQQFPRLEL692 LDLRGNKLLF702 LTDSLDFTSS713 LRTLLLSHNR723 ISHLPSGFLV 735 SSLKHLDLSS745 NLLKTINKSA755 LETKTTTKLS765 MLELHGNPFE775 CTCDIGDFRR 785 WMDEHLNVKI795 PRLVDVICAS805 PGDQRGKSIV815 SLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U57 or .U572 or .U573 or :3U57;style chemicals stick;color identity;select .A:520 or .A:543 or .A:544 or .A:545 or .A:572 or .A:573 or .A:574; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Alpha-D-Mannose | Ligand Info | |||||
| Structure Description | Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod) | PDB:6WML | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [3] |
| PDB Sequence |
SRSYPCDEKV
45 IAECSNRRLQ55 EVPQTVGKYV65 TELDLSDNFI75 THITNESFQG85 LQNLTKINLN 95 HNPNVGLNIT117 DGAFLNLKNL127 RELLLEDNQL137 PQIPSGLPES147 LTELSLIQNN 157 IYNITKEGIS167 RLINLKNLYL177 AWNCYFNKVC187 EKTNIEDGVF197 ETLTNLELLS 207 LSFNSLSHVP217 PKLPSSLRKL227 FLSNTQIKYI237 SEEDFKGLIN247 LTLLDLSGNC 257 PRCFNAPFPC267 VPCDGGASIN277 IDRFAFQNLT287 QLRYLNLSST297 SLRKINAAWF 307 KNMPHLKVLD317 LEFNYLVGEI327 ASGAFLTMLP337 RLEILDLSFN347 YIKGSYPQHI 357 NISRNFSKLL367 SLRALHLRGY377 VFQELREDDF387 QPLMQLPNLS397 TINLGINFIK 407 QIDFKLFQNF417 SNLEIIYLSE427 NRISPLFEFD462 PHSNFYHFTR472 PLIKPQCAAY 482 GKALDLSLNS492 IFFIGPNQFE502 NLPDIACLNL512 SANSNAQVLS522 GTEFSAIPHV 532 KYLDLTNNRL542 DFDNASALTE552 LSDLEVLDLS562 YNSHYFRIAG572 VTHHLEFIQN 582 FTNLKVLNLS592 HNNIYTLTDK602 YNLESKSLVE612 LVFSGNRLDI622 LWNDDDNRYI 632 SIFKGLKNLT642 RLDLSLNRLK652 HIPNEAFLNL662 PASLTELHIN672 DNMLKFFNWT 682 LLQQFPRLEL692 LDLRGNKLLF702 LTDSLDFTSS713 LRTLLLSHNR723 ISHLPSGFLV 735 SSLKHLDLSS745 NLLKTINKSA755 LETKTTTKLS765 MLELHGNPFE775 CTCDIGDFRR 785 WMDEHLNVKI795 PRLVDVICAS805 PGDQRGKSIV815 SLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MAN or .MAN2 or .MAN3 or :3MAN;style chemicals stick;color identity;select .A:462 or .A:464 or .A:465; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Butylfuro[2,3-C]quinolin-4-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with DS-877 | PDB:3WN4 | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [4] |
| PDB Sequence |
RSYPCDEKKD
43 SVIAECSNRR53 LQEVPQTVGK63 YVTELDLSDN73 FITHITNESF83 QGLQNLTKIN 93 LNHNPNGLNI116 TDGAFLNLKN126 LRELLLEDNQ136 LPQIPSGLPE146 SLTELSLIQN 156 NIYNITKEGI166 SRLINLKNLY176 LAWNCYFNKV186 CEKTNIEDGV196 FETLTNLELL 206 SLSFNSLSHV216 PPKLPSSLRK226 LFLSNTQIKY236 ISEEDFKGLI246 NLTLLDLSGN 256 CPRCFNAPFP266 CVPCDGGASI276 NIDRFAFQNL286 TQLRYLNLSS296 TSLRKINAAW 306 FKNMPHLKVL316 DLEFNYLVGE326 IASGAFLTML336 PRLEILDLSF346 NYIKGSYPQH 356 INISRNFSKL366 LSLRALHLRG376 YVFQELREDD386 FQPLMQLPNL396 STINLGINFI 406 KQIDFKLFQN416 FSNLEIIYLS426 ENRISPLFEF461 DPHSNFYHFT471 RPLIKPQCAA 481 YGKALDLSLN491 SIFFIGPNQF501 ENLPDIACLN511 LSANSNAQVL521 SGTEFSAIPH 531 VKYLDLTNNR541 LDFDNASALT551 ELSDLEVLDL561 SYNSHYFRIA571 GVTHHLEFIQ 581 NFTNLKVLNL591 SHNNIYTLTD601 KYNLESKSLV611 ELVFSGNRLD621 ILWNDDDNRY 631 ISIFKGLKNL641 TRLDLSLNRL651 KHIPNEAFLN661 LPASLTELHI671 NDNMLKFFNW 681 TLLQQFPRLE691 LLDLRGNKLL701 FLTDSLSDFT711 SSLRTLLLSH721 NRISHLPSGF 731 LSEVSSLKHL741 DLSSNLLKTI751 NKSALETKTT761 TKLSMLELHG771 NPFECTCDIG 781 DFRRWMDEHL791 NVKIPRLVDV801 ICASPGDQRG811 KSIVSLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D87 or .D872 or .D873 or :3D87;style chemicals stick;color identity;select .A:261 or .A:346 or .A:348 or .A:353 or .A:376 or .A:378 or .A:403 or .A:405; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(Ethoxymethyl)-1h-Imidazo[4,5-C]quinolin-4-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with CL097 | PDB:3W3J | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
SRSYPCDEKK
40 QVIAECSNRR53 LQEVPQTVGK63 YVTELDLSDN73 FITHITNESF83 QGLQNLTKIN 93 LNHNPNVGLN115 ITDGAFLNLK125 NLRELLLEDN135 QLPQIPSGLP145 ESLTELSLIQ 155 NNIYNITKEG165 ISRLINLKNL175 YLAWNCYFNK185 VCEKTNIEDG195 VFETLTNLEL 205 LSLSFNSLSH215 VPPKLPSSLR225 KLFLSNTQIK235 YISEEDFKGL245 INLTLLDLSG 255 NCPRCFNAPF265 PCVPCDGGAS275 INIDRFAFQN285 LTQLRYLNLS295 STSLRKINAA 305 WFKNMPHLKV315 LDLEFNYLVG325 EIASGAFLTM335 LPRLEILDLS345 FNYIKGSYPQ 355 HINISRNFSK365 LLSLRALHLR375 GYVFQELRED385 DFQPLMQLPN395 LSTINLGINF 405 IKQIDFKLFQ415 NFSNLEIIYL425 SENRISPDFE460 FDPHSNFYHF470 TRPLIKPQCA 480 AYGKALDLSL490 NSIFFIGPNQ500 FENLPDIACL510 NLSANSNAQV520 LSGTEFSAIP 530 HVKYLDLTNN540 RLDFDNASAL550 TELSDLEVLD560 LSYNSHYFRI570 AGVTHHLEFI 580 QNFTNLKVLN590 LSHNNIYTLT600 DKYNLESKSL610 VELVFSGNRL620 DILWNDDDNR 630 YISIFKGLKN640 LTRLDLSLNR650 LKHIPNEAFL660 NLPASLTELH670 INDNMLKFFN 680 WTLLQQFPRL690 ELLDLRGNKL700 LFLTDSLSDF710 TSSLRTLLLS720 HNRISHLPSG 730 FLSEVSSLKH740 LDLSSNLLKT750 INKSALETKT760 TTKLSMLELH770 GNPFECTCDI 780 GDFRRWMDEH790 LNVKIPRLVD800 VICASPGDQR810 GKSIVSL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C09 or .C092 or .C093 or :3C09;style chemicals stick;color identity;select .A:520 or .A:543 or .A:545 or .A:572 or .A:573 or .A:574; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Butyl[1,3]oxazolo[4,5-C]quinolin-4-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with DS-802 | PDB:4QBZ | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [5] |
| PDB Sequence |
SRSYPCDEKK
40 QNDSVIAECS50 NRRLQEVPQT60 VGKYVTELDL70 SDNFITHITN80 ESFQGLQNLT 90 KINLNHNPNV100 GLNITDGAFL122 NLKNLRELLL132 EDNQLPQIPS142 GLPESLTELS 152 LIQNNIYNIT162 KEGISRLINL172 KNLYLAWNCY182 FNKVCEKTNI192 EDGVFETLTN 202 LELLSLSFNS212 LSHVPPKLPS222 SLRKLFLSNT232 QIKYISEEDF242 KGLINLTLLD 252 LSGNCPRCFN262 APFPCVPCDG272 GASINIDRFA282 FQNLTQLRYL292 NLSSTSLRKI 302 NAAWFKNMPH312 LKVLDLEFNY322 LVGEIASGAF332 LTMLPRLEIL342 DLSFNYIKGS 352 YPQHINISRN362 FSKLLSLRAL372 HLRGYVFQEL382 REDDFQPLMQ392 LPNLSTINLG 402 INFIKQIDFK412 LFQNFSNLEI422 IYLSENRISP432 LVTDFEFDPH464 SNFYHFTRPL 474 IKPQCAAYGK484 ALDLSLNSIF494 FIGPNQFENL504 PDIACLNLSA514 NSNAQVLSGT 524 EFSAIPHVKY534 LDLTNNRLDF544 DNASALTELS554 DLEVLDLSYN564 SHYFRIAGVT 574 HHLEFIQNFT584 NLKVLNLSHN594 NIYTLTDKYN604 LESKSLVELV614 FSGNRLDILW 624 NDDDNRYISI634 FKGLKNLTRL644 DLSLNRLKHI654 PNEAFLNLPA664 SLTELHINDN 674 MLKFFNWTLL684 QQFPRLELLD694 LRGNKLLFLT704 DSLSDFTSSL714 RTLLLSHNRI 724 SHLPSGFLSE734 VSSLKHLDLS744 SNLLKTINKS754 ALETKTTTKL764 SMLELHGNPF 774 ECTCDIGDFR784 RWMDEHLNVK794 IPRLVDVICA804 SPGDQRGKSI814 VSLE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D80 or .D802 or .D803 or :3D80;style chemicals stick;color identity;select .A:520 or .A:543 or .A:545 or .A:572 or .A:573 or .A:574; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3'-O-[(R)-{[(2r,3ar,4r,6r,6ar)-6-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-2-Hydroxy-2-Oxidotetrahydrofuro[3,4-D][1,3,2]dioxaphosphol-4-Yl]methoxy}(Hydroxy)phosphoryl]uridine 5'-(Dihydrogen Phosphate) | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with ORN06 | PDB:4R07 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
RSYPCDEKVI
46 AECSNRRLQE56 VPQTVGKYVT66 ELDLSDNFIT76 HITNESFQGL86 QNLTKINLNH 96 NPNVNGLNIT117 DGAFLNLKNL127 RELLLEDNQL137 PQIPSGLPES147 LTELSLIQNN 157 IYNITKEGIS167 RLINLKNLYL177 AWNCYFNKVC187 EKTNIEDGVF197 ETLTNLELLS 207 LSFNSLSHVP217 PKLPSSLRKL227 FLSNTQIKYI237 SEEDFKGLIN247 LTLLDLSGNC 257 PRCFNAPFPC267 VPCDGGASIN277 IDRFAFQNLT287 QLRYLNLSST297 SLRKINAAWF 307 KNMPHLKVLD317 LEFNYLVGEI327 ASGAFLTMLP337 RLEILDLSFN347 YIKGSYPQHI 357 NISRNFSKLL367 SLRALHLRGY377 VFQELREDDF387 QPLMQLPNLS397 TINLGINFIK 407 QIDFKLFQNF417 SNLEIIYLSE427 NRISPTDFEF461 DPHSNFYHFT471 RPLIKPQCAA 481 YGKALDLSLN491 SIFFIGPNQF501 ENLPDIACLN511 LSANSNAQVL521 SGTEFSAIPH 531 VKYLDLTNNR541 LDFDNASALT551 ELSDLEVLDL561 SYNSHYFRIA571 GVTHHLEFIQ 581 NFTNLKVLNL591 SHNNIYTLTD601 KYNLESKSLV611 ELVFSGNRLD621 ILWNDDDNRY 631 ISIFKGLKNL641 TRLDLSLNRL651 KHIPNEAFLN661 LPASLTELHI671 NDNMLKFFNW 681 TLLQQFPRLE691 LLDLRGNKLL701 FLTDSLSDFT711 SSLRTLLLSH721 NRISHLPSGF 731 LSEVSSLKHL741 DLSSNLLKTI751 NKSALETKTT761 TKLSMLELHG771 NPFECTCDIG 781 DFRRWMDEHL791 NVKIPRLVDV801 ICASPGDQRG811 KSIVSLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UCG or .UCG2 or .UCG3 or :3UCG;style chemicals stick;color identity;select .A:291 or .A:314 or .A:315 or .A:319 or .A:340 or .A:341 or .A:343 or .A:345 or .A:370 or .A:373 or .A:375 or .A:398 or .A:400 or .A:422 or .A:466 or .A:469 or .A:470 or .A:471 or .A:472 or .A:473 or .A:474 or .A:475; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR291
4.134
LYS314
3.261
VAL315
3.124
GLU319
4.685
GLU340
2.891
ILE341
2.882
ASP343
2.820
SER345
4.196
ARG370
3.412
HIS373
3.528
ARG375
2.821
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-[[4-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with N1-4-aminomethylbenzyl (IMDQ) | PDB:5AWD | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [6] |
| PDB Sequence |
SRSYPCDEKK
40 QSVIAECSNR52 RLQEVPQTVG62 KYVTELDLSD72 NFITHITNES82 FQGLQNLTKI 92 NLNHNPNNGL114 NITDGAFLNL124 KNLRELLLED134 NQLPQIPSGL144 PESLTELSLI 154 QNNIYNITKE164 GISRLINLKN174 LYLAWNCYFN184 KVCEKTNIED194 GVFETLTNLE 204 LLSLSFNSLS214 HVPPKLPSSL224 RKLFLSNTQI234 KYISEEDFKG244 LINLTLLDLS 254 GNCPRCFNAP264 FPCVPCDGGA274 SINIDRFAFQ284 NLTQLRYLNL294 SSTSLRKINA 304 AWFKNMPHLK314 VLDLEFNYLV324 GEIASGAFLT334 MLPRLEILDL344 SFNYIKGSYP 354 QHINISRNFS364 KLLSLRALHL374 RGYVFQELRE384 DDFQPLMQLP394 NLSTINLGIN 404 FIKQIDFKLF414 QNFSNLEIIY424 LSENRISPLV434 FEFDPHSNFY468 HFTRPLIKPQ 478 CAAYGKALDL488 SLNSIFFIGP498 NQFENLPDIA508 CLNLSANSNA518 QVLSGTEFSA 528 IPHVKYLDLT538 NNRLDFDNAS548 ALTELSDLEV558 LDLSYNSHYF568 RIAGVTHHLE 578 FIQNFTNLKV588 LNLSHNNIYT598 LTDKYNLESK608 SLVELVFSGN618 RLDILWNDDD 628 NRYISIFKGL638 KNLTRLDLSL648 NRLKHIPNEA658 FLNLPASLTE668 LHINDNMLKF 678 FNWTLLQQFP688 RLELLDLRGN698 KLLFLTDSLS708 DFTSSLRTLL718 LSHNRISHLP 728 SGFLSEVSSL738 KHLDLSSNLL748 KTINKSALET758 KTTTKLSMLE768 LHGNPFECTC 778 DIGDFRRWMD788 EHLNVKIPRL798 VDVICASPGD808 QRGKSIVSLE818 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IDQ or .IDQ2 or .IDQ3 or :3IDQ;style chemicals stick;color identity;select .A:346 or .A:348 or .A:351 or .A:352 or .A:353 or .A:376 or .A:378 or .A:403 or .A:405 or .A:429; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(4-Amino-2-Butyl-1h-Imidazo[4,5-C]quinolin-1-Yl)-2-Methylpropan-2-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with Hybrid-2 | PDB:4R6A | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [7] |
| PDB Sequence |
SRSYPCDEKK
40 QNDSVIAECS50 NRRLQEVPQT60 VGKYVTELDL70 SDNFITHITN80 ESFQGLQNLT 90 KINLNHNPNV100 NGLNITDGAF121 LNLKNLRELL131 LEDNQLPQIP141 SGLPESLTEL 151 SLIQNNIYNI161 TKEGISRLIN171 LKNLYLAWNC181 YFNKVCEKTN191 IEDGVFETLT 201 NLELLSLSFN211 SLSHVPPKLP221 SSLRKLFLSN231 TQIKYISEED241 FKGLINLTLL 251 DLSGNCPRCF261 NAPFPCVPCD271 GGASINIDRF281 AFQNLTQLRY291 LNLSSTSLRK 301 INAAWFKNMP311 HLKVLDLEFN321 YLVGEIASGA331 FLTMLPRLEI341 LDLSFNYIKG 351 SYPQHINISR361 NFSKLLSLRA371 LHLRGYVFQE381 LREDDFQPLM391 QLPNLSTINL 401 GINFIKQIDF411 KLFQNFSNLE421 IIYLSENRIS431 PLFEFDPHSN466 FYHFTRPLIK 476 PQCAAYGKAL486 DLSLNSIFFI496 GPNQFENLPD506 IACLNLSANS516 NAQVLSGTEF 526 SAIPHVKYLD536 LTNNRLDFDN546 ASALTELSDL556 EVLDLSYNSH566 YFRIAGVTHH 576 LEFIQNFTNL586 KVLNLSHNNI596 YTLTDKYNLE606 SKSLVELVFS616 GNRLDILWND 626 DDNRYISIFK636 GLKNLTRLDL646 SLNRLKHIPN656 EAFLNLPASL666 TELHINDNML 676 KFFNWTLLQQ686 FPRLELLDLR696 GNKLLFLTDS706 LSDFTSSLRT716 LLLSHNRISH 726 LPSGFLSEVS736 SLKHLDLSSN746 LLKTINKSAT762 KLSMLELHGN772 PFECTCDIGD 782 FRRWMDEHLN792 VKIPRLVDVI802 CASPGDQRGK812 SIVSLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HB2 or .HB22 or .HB23 or :3HB2;style chemicals stick;color identity;select .A:520 or .A:543 or .A:545 or .A:572 or .A:573 or .A:574; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[[3-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with N1-3-aminomethylbenzyl (meta-amine) | PDB:5AWB | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [6] |
| PDB Sequence |
SRSYPCDEKK
39 QSVIAECSNR52 RLQEVPQTVG62 KYVTELDLSD72 NFITHITNES82 FQGLQNLTKI 92 NLNHNPNVGL114 NITDGAFLNL124 KNLRELLLED134 NQLPQIPSGL144 PESLTELSLI 154 QNNIYNITKE164 GISRLINLKN174 LYLAWNCYFN184 KVCEKTNIED194 GVFETLTNLE 204 LLSLSFNSLS214 HVPPKLPSSL224 RKLFLSNTQI234 KYISEEDFKG244 LINLTLLDLS 254 GNCPRCFNAP264 FPCVPCDGGA274 SINIDRFAFQ284 NLTQLRYLNL294 SSTSLRKINA 304 AWFKNMPHLK314 VLDLEFNYLV324 GEIASGAFLT334 MLPRLEILDL344 SFNYIKGSYP 354 QHINISRNFS364 KLLSLRALHL374 RGYVFQELRE384 DDFQPLMQLP394 NLSTINLGIN 404 FIKQIDFKLF414 QNFSNLEIIY424 LSENRISPLF459 EFDPHSNFYH469 FTRPLIKPQC 479 AAYGKALDLS489 LNSIFFIGPN499 QFENLPDIAC509 LNLSANSNAQ519 VLSGTEFSAI 529 PHVKYLDLTN539 NRLDFDNASA549 LTELSDLEVL559 DLSYNSHYFR569 IAGVTHHLEF 579 IQNFTNLKVL589 NLSHNNIYTL599 TDKYNLESKS609 LVELVFSGNR619 LDILWNDDDN 629 RYISIFKGLK639 NLTRLDLSLN649 RLKHIPNEAF659 LNLPASLTEL669 HINDNMLKFF 679 NWTLLQQFPR689 LELLDLRGNK699 LLFLTDSLSD709 FTSSLRTLLL719 SHNRISHLPS 729 GFLSEVSSLK739 HLDLSSNLLK749 TINKSALETK759 TTTKLSMLEL769 HGNPFECTCD 779 IGDFRRWMDE789 HLNVKIPRLV799 DVICASPGDQ809 RGKSIVSL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M0A or .M0A2 or .M0A3 or :3M0A;style chemicals stick;color identity;select .A:346 or .A:348 or .A:351 or .A:352 or .A:353 or .A:376 or .A:378 or .A:403 or .A:405 or .A:429; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Butyl-2h-Pyrazolo[3,4-C]quinolin-4-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with XG-1-236 | PDB:4QC0 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [5] |
| PDB Sequence |
RSYPCDEKKQ
41 VIAECSNRRL54 QEVPQTVGKY64 VTELDLSDNF74 ITHITNESFQ84 GLQNLTKINL 94 NHNPNVGLNI116 TDGAFLNLKN126 LRELLLEDNQ136 LPQIPSGLPE146 SLTELSLIQN 156 NIYNITKEGI166 SRLINLKNLY176 LAWNCYFNKV186 CEKTNIEDGV196 FETLTNLELL 206 SLSFNSLSHV216 PPKLPSSLRK226 LFLSNTQIKY236 ISEEDFKGLI246 NLTLLDLSGN 256 CPRCFNAPFP266 CVPCDGGASI276 NIDRFAFQNL286 TQLRYLNLSS296 TSLRKINAAW 306 FKNMPHLKVL316 DLEFNYLVGE326 IASGAFLTML336 PRLEILDLSF346 NYIKGSYPQH 356 INISRNFSKL366 LSLRALHLRG376 YVFQELREDD386 FQPLMQLPNL396 STINLGINFI 406 KQIDFKLFQN416 FSNLEIIYLS426 ENRISPEFDP463 HSNFYHFTRP473 LIKPQCAAYG 483 KALDLSLNSI493 FFIGPNQFEN503 LPDIACLNLS513 ANSNAQVLSG523 TEFSAIPHVK 533 YLDLTNNRLD543 FDNASALTEL553 SDLEVLDLSY563 NSHYFRIAGV573 THHLEFIQNF 583 TNLKVLNLSH593 NNIYTLTDKY603 NLESKSLVEL613 VFSGNRLDIL623 WNDDDNRYIS 633 IFKGLKNLTR643 LDLSLNRLKH653 IPNEAFLNLP663 ASLTELHIND673 NMLKFFNWTL 683 LQQFPRLELL693 DLRGNKLLFL703 TDSLSDFTSS713 LRTLLLSHNR723 ISHLPSGFLS 733 EVSSLKHLDL743 SSNLLKTINK753 SALETKTTTK763 LSMLELHGNP773 FECTCDIGDF 783 RRWMDEHLNV793 KIPRLVDVIC803 ASPGDQRGKS813 IVSLEL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XG1 or .XG12 or .XG13 or :3XG1;style chemicals stick;color identity;select .A:520 or .A:543 or .A:545 or .A:572 or .A:573 or .A:574; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[[3-(Aminomethyl)phenyl]methyl]-3-Pentyl-Quinolin-2-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with MB-568 | PDB:5AWA | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [8] |
| PDB Sequence |
RSYPCDEKKQ
41 SVIAECSNRR53 LQEVPQTVGK63 YVTELDLSDN73 FITHITNESF83 QGLQNLTKIN 93 LNHNPNGLNI116 TDGAFLNLKN126 LRELLLEDNQ136 LPQIPSGLPE146 SLTELSLIQN 156 NIYNITKEGI166 SRLINLKNLY176 LAWNCYFNKV186 CEKTNIEDGV196 FETLTNLELL 206 SLSFNSLSHV216 PPKLPSSLRK226 LFLSNTQIKY236 ISEEDFKGLI246 NLTLLDLSGN 256 CPRCFNAPFP266 CVPCDGGASI276 NIDRFAFQNL286 TQLRYLNLSS296 TSLRKINAAW 306 FKNMPHLKVL316 DLEFNYLVGE326 IASGAFLTML336 PRLEILDLSF346 NYIKGSYPQH 356 INISRNFSKL366 LSLRALHLRG376 YVFQELREDD386 FQPLMQLPNL396 STINLGINFI 406 KQIDFKLFQN416 FSNLEIIYLS426 ENRISPDFEF461 DPHSNFYHFT471 RPLIKPQCAA 481 YGKALDLSLN491 SIFFIGPNQF501 ENLPDIACLN511 LSANSNAQVL521 SGTEFSAIPH 531 VKYLDLTNNR541 LDFDNASALT551 ELSDLEVLDL561 SYNSHYFRIA571 GVTHHLEFIQ 581 NFTNLKVLNL591 SHNNIYTLTD601 KYNLESKSLV611 ELVFSGNRLD621 ILWNDDDNRY 631 ISIFKGLKNL641 TRLDLSLNRL651 KHIPNEAFLN661 LPASLTELHI671 NDNMLKFFNW 681 TLLQQFPRLE691 LLDLRGNKLL701 FLTDSLSDFT711 SSLRTLLLSH721 NRISHLPSGF 731 LSEVSSLKHL741 DLSSNLLKTI751 NKSALTKLSM766 LELHGNPFEC776 TCDIGDFRRW 786 MDEHLNVKIP796 RLVDVICARG811 KSIVS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M8D or .M8D2 or .M8D3 or :3M8D;style chemicals stick;color identity;select .A:346 or .A:348 or .A:351 or .A:352 or .A:353 or .A:376 or .A:378 or .A:403 or .A:405 or .A:429; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (R,R)-2,3-butanediol | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 (unliganded form) | PDB:3W3G | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
RSYPCDEKKQ
41 NDSVIAECSN51 RRLQEVPQTV61 GKYVTELDLS71 DNFITHITNE81 SFQGLQNLTK 91 INLNHNPNVN112 GLNITDGAFL122 NLKNLRELLL132 EDNQLPQIPS142 GLPESLTELS 152 LIQNNIYNIT162 KEGISRLINL172 KNLYLAWNCY182 FNKVCEKTNI192 EDGVFETLTN 202 LELLSLSFNS212 LSHVPPKLPS222 SLRKLFLSNT232 QIKYISEEDF242 KGLINLTLLD 252 LSGNCPRCFN262 APFPCVPCDG272 GASINIDRFA282 FQNLTQLRYL292 NLSSTSLRKI 302 NAAWFKNMPH312 LKVLDLEFNY322 LVGEIASGAF332 LTMLPRLEIL342 DLSFNYIKGS 352 YPQHINISRN362 FSKLLSLRAL372 HLRGYVFQEL382 REDDFQPLMQ392 LPNLSTINLG 402 INFIKQIDFK412 LFQNFSNLEI422 IYLSENRISP432 LVKFDPHSNF467 YHFTRPLIKP 477 QCAAYGKALD487 LSLNSIFFIG497 PNQFENLPDI507 ACLNLSANSN517 AQVLSGTEFS 527 AIPHVKYLDL537 TNNRLDFDNA547 SALTELSDLE557 VLDLSYNSHY567 FRIAGVTHHL 577 EFIQNFTNLK587 VLNLSHNNIY597 TLTDKYNLES607 KSLVELVFSG617 NRLDILWNDD 627 DNRYISIFKG637 LKNLTRLDLS647 LNRLKHIPNE657 AFLNLPASLT667 ELHINDNMLK 677 FFNWTLLQQF687 PRLELLDLRG697 NKLLFLTDSL707 SDFTSSLRTL717 LLSHNRISHL 727 PSGFLSEVSS737 LKHLDLSSNL747 LKTINKSALE757 TKTTTKLSML767 ELHGNPFECT 777 CDIGDFRRWM787 DEHLNVKIPR797 LVDVICASPG807 DQRGKSIVSL817 EL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BU3 or .BU32 or .BU33 or :3BU3;style chemicals stick;color identity;select .A:577 or .A:580 or .A:589 or .A:591 or .A:599 or .A:601 or .A:605 or .A:613 or .A:615 or .A:634 or .A:635 or .A:638; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Propylthiazolo[4,5-c]quinolin-4-amine | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with CL075 | PDB:3W3K | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
SRSYPCDEKV
45 IAECSNRRLQ55 EVPQTVGKYV65 TELDLSDNFI75 THITNESFQG85 LQNLTKINLN 95 HNPNVGLNIT117 DGAFLNLKNL127 RELLLEDNQL137 PQIPSGLPES147 LTELSLIQNN 157 IYNITKEGIS167 RLINLKNLYL177 AWNCYFNKVC187 EKTNIEDGVF197 ETLTNLELLS 207 LSFNSLSHVP217 PKLPSSLRKL227 FLSNTQIKYI237 SEEDFKGLIN247 LTLLDLSGNC 257 PRCFNAPFPC267 VPCDGGASIN277 IDRFAFQNLT287 QLRYLNLSST297 SLRKINAAWF 307 KNMPHLKVLD317 LEFNYLVGEI327 ASGAFLTMLP337 RLEILDLSFN347 YIKGSYPQHI 357 NISRNFSKLL367 SLRALHLRGY377 VFQELREDDF387 QPLMQLPNLS397 TINLGINFIK 407 QIDFKLFQNF417 SNLEIIYLSE427 NRISPLVFEF461 DPHSNFYHFT471 RPLIKPQCAA 481 YGKALDLSLN491 SIFFIGPNQF501 ENLPDIACLN511 LSANSNAQVL521 SGTEFSAIPH 531 VKYLDLTNNR541 LDFDNASALT551 ELSDLEVLDL561 SYNSHYFRIA571 GVTHHLEFIQ 581 NFTNLKVLNL591 SHNNIYTLTD601 KYNLESKSLV611 ELVFSGNRLD621 ILWNDDDNRY 631 ISIFKGLKNL641 TRLDLSLNRL651 KHIPNEAFLN661 LPASLTELHI671 NDNMLKFFNW 681 TLLQQFPRLE691 LLDLRGNKLL701 FLTDSLSDFT711 SSLRTLLLSH721 NRISHLPSGF 731 LSEVSSLKHL741 DLSSNLLKTI751 NKSALETKTT761 TKLSMLELHG771 NPFECTCDIG 781 DFRRWMDEHL791 NVKIPRLVDV801 ICASPGDQRG811 KSIVSL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L07 or .L072 or .L073 or :3L07;style chemicals stick;color identity;select .A:520 or .A:543 or .A:545 or .A:572 or .A:573 or .A:574; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: CU-CPT9b | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with CU-CPT9b | PDB:5WYZ | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [9] |
| PDB Sequence |
RSYPCDEKKQ
41 NDSVIAECSN51 RRLQEVPQTV61 GKYVTELDLS71 DNFITHITNE81 SFQGLQNLTK 91 INLNHNPNVN112 GLNITDGAFL122 NLKNLRELLL132 EDNQLPQIPS142 GLPESLTELS 152 LIQNNIYNIT162 KEGISRLINL172 KNLYLAWNCY182 FNKVCEKTNI192 EDGVFETLTN 202 LELLSLSFNS212 LSHVPPKLPS222 SLRKLFLSNT232 QIKYISEEDF242 KGLINLTLLD 252 LSGNCPRCFN262 APFPCVPCDG272 GASINIDRFA282 FQNLTQLRYL292 NLSSTSLRKI 302 NAAWFKNMPH312 LKVLDLEFNY322 LVGEIASGAF332 LTMLPRLEIL342 DLSFNYIKGS 352 YPQHINISRN362 FSKLLSLRAL372 HLRGYVFQEL382 REDDFQPLMQ392 LPNLSTINLG 402 INFIKQIDFK412 LFQNFSNLEI422 IYLSENRISP432 LVFDPHSNFY468 HFTRPLIKPQ 478 CAAYGKALDL488 SLNSIFFIGP498 NQFENLPDIA508 CLNLSANSNA518 QVLSGTEFSA 528 IPHVKYLDLT538 NNRLDFDNAS548 ALTELSDLEV558 LDLSYNSHYF568 RIAGVTHHLE 578 FIQNFTNLKV588 LNLSHNNIYT598 LTDKYNLESK608 SLVELVFSGN618 RLDILWNDDD 628 NRYISIFKGL638 KNLTRLDLSL648 NRLKHIPNEA658 FLNLPASLTE668 LHINDNMLKF 678 FNWTLLQQFP688 RLELLDLRGN698 KLLFLTDSLS708 DFTSSLRTLL718 LSHNRISHLP 728 SGFLSEVSSL738 KHLDLSSNLL748 KTINKSALET758 KTTTKLSMLE768 LHGNPFECTC 778 DIGDFRRWMD788 EHLNVKIPRL798 VDVICASPGD808 QRGKSIVSLE818 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7VF or .7VF2 or .7VF3 or :37VF;style chemicals stick;color identity;select .A:494 or .A:495 or .A:516 or .A:518 or .A:519 or .A:520 or .A:567; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Pentyl-4-Phenyl-Imidazol-2-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with MB-343 | PDB:5AZ5 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [10] |
| PDB Sequence |
RSYPCDEKKQ
41 VIAECSNRRL54 QEVPQTVGKY64 VTELDLSDNF74 ITHITNESFQ84 GLQNLTKINL 94 NHNPNVNGLN115 ITDGAFLNLK125 NLRELLLEDN135 QLPQIPSGLP145 ESLTELSLIQ 155 NNIYNITKEG165 ISRLINLKNL175 YLAWNCYFNK185 VCEKTNIEDG195 VFETLTNLEL 205 LSLSFNSLSH215 VPPKLPSSLR225 KLFLSNTQIK235 YISEEDFKGL245 INLTLLDLSG 255 NCPRCFNAPF265 PCVPCDGGAS275 INIDRFAFQN285 LTQLRYLNLS295 STSLRKINAA 305 WFKNMPHLKV315 LDLEFNYLVG325 EIASGAFLTM335 LPRLEILDLS345 FNYIKGSYPQ 355 HINISRNFSK365 LLSLRALHLR375 GYVFQELRED385 DFQPLMQLPN395 LSTINLGINF 405 IKQIDFKLFQ415 NFSNLEIIYL425 SENRISPDFE460 FDPHSNFYHF470 TRPLIKPQCA 480 AYGKALDLSL490 NSIFFIGPNQ500 FENLPDIACL510 NLSANSNAQV520 LSGTEFSAIP 530 HVKYLDLTNN540 RLDFDNASAL550 TELSDLEVLD560 LSYNSHYFRI570 AGVTHHLEFI 580 QNFTNLKVLN590 LSHNNIYTLT600 DKYNLESKSL610 VELVFSGNRL620 DILWNDDDNR 630 YISIFKGLKN640 LTRLDLSLNR650 LKHIPNEAFL660 NLPASLTELH670 INDNMLKFFN 680 WTLLQQFPRL690 ELLDLRGNKL700 LFLTDSLSDF710 TSSLRTLLLS720 HNRISHLPSG 730 FLSEVSSLKH740 LDLSSNLLKT750 INKSALETKT760 TTKLSMLELH770 GNPFECTCDI 780 GDFRRWMDEH790 LNVKIPRLVD800 VICASPGDQR810 GKSIVSLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MBL or .MBL2 or .MBL3 or :3MBL;style chemicals stick;color identity;select .A:346 or .A:348 or .A:353 or .A:376 or .A:378 or .A:403 or .A:405 or .A:429 or .A:520 or .A:543 or .A:545 or .A:572 or .A:573 or .A:574; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: CU-CPT-8m | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with CU-CPT8m | PDB:5WYX | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [9] |
| PDB Sequence |
RSYPCDEKKQ
41 NDSVIAECSN51 RRLQEVPQTV61 GKYVTELDLS71 DNFITHITNE81 SFQGLQNLTK 91 INLNHNPNVN112 GLNITDGAFL122 NLKNLRELLL132 EDNQLPQIPS142 GLPESLTELS 152 LIQNNIYNIT162 KEGISRLINL172 KNLYLAWNCY182 FNKVCEKTNI192 EDGVFETLTN 202 LELLSLSFNS212 LSHVPPKLPS222 SLRKLFLSNT232 QIKYISEEDF242 KGLINLTLLD 252 LSGNCPRCFN262 APFPCVPCDG272 GASINIDRFA282 FQNLTQLRYL292 NLSSTSLRKI 302 NAAWFKNMPH312 LKVLDLEFNY322 LVGEIASGAF332 LTMLPRLEIL342 DLSFNYIKGS 352 YPQHINISRN362 FSKLLSLRAL372 HLRGYVFQEL382 REDDFQPLMQ392 LPNLSTINLG 402 INFIKQIDFK412 LFQNFSNLEI422 IYLSENRISP432 LVFDPHSNFY468 HFTRPLIKPQ 478 CAAYGKALDL488 SLNSIFFIGP498 NQFENLPDIA508 CLNLSANSNA518 QVLSGTEFSA 528 IPHVKYLDLT538 NNRLDFDNAS548 ALTELSDLEV558 LDLSYNSHYF568 RIAGVTHHLE 578 FIQNFTNLKV588 LNLSHNNIYT598 LTDKYNLESK608 SLVELVFSGN618 RLDILWNDDD 628 NRYISIFKGL638 KNLTRLDLSL648 NRLKHIPNEA658 FLNLPASLTE668 LHINDNMLKF 678 FNWTLLQQFP688 RLELLDLRGN698 KLLFLTDSLS708 DFTSSLRTLL718 LSHNRISHLP 728 SGFLSEVSSL738 KHLDLSSNLL748 KTINKSALET758 KTTTKLSMLE768 LHGNPFECTC 778 DIGDFRRWMD788 EHLNVKIPRL798 VDVICASPGD808 QRGKSIVSLE818 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CU8 or .CU82 or .CU83 or :3CU8;style chemicals stick;color identity;select .A:494 or .A:495 or .A:518 or .A:519 or .A:520 or .A:567; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(4-Azanylbutyl)-3-Pentyl-Quinolin-2-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with MB-564 | PDB:5AWC | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [11] |
| PDB Sequence |
SRSYPCDEKK
40 QVIAECSNRR53 LQEVPQTVGK63 YVTELDLSDN73 FITHITNESF83 QGLQNLTKIN 93 LNHNPNVGLN115 ITDGAFLNLK125 NLRELLLEDN135 QLPQIPSGLP145 ESLTELSLIQ 155 NNIYNITKEG165 ISRLINLKNL175 YLAWNCYFNK185 VCEKTNIEDG195 VFETLTNLEL 205 LSLSFNSLSH215 VPPKLPSSLR225 KLFLSNTQIK235 YISEEDFKGL245 INLTLLDLSG 255 NCPRCFNAPF265 PCVPCDGGAS275 INIDRFAFQN285 LTQLRYLNLS295 STSLRKINAA 305 WFKNMPHLKV315 LDLEFNYLVG325 EIASGAFLTM335 LPRLEILDLS345 FNYIKGSYPQ 355 HINISRNFSK365 LLSLRALHLR375 GYVFQELRED385 DFQPLMQLPN395 LSTINLGINF 405 IKQIDFKLFQ415 NFSNLEIIYL425 SENRISPLDF459 EFDPHSNFYH469 FTRPLIKPQC 479 AAYGKALDLS489 LNSIFFIGPN499 QFENLPDIAC509 LNLSANSNAQ519 VLSGTEFSAI 529 PHVKYLDLTN539 NRLDFDNASA549 LTELSDLEVL559 DLSYNSHYFR569 IAGVTHHLEF 579 IQNFTNLKVL589 NLSHNNIYTL599 TDKYNLESKS609 LVELVFSGNR619 LDILWNDDDN 629 RYISIFKGLK639 NLTRLDLSLN649 RLKHIPNEAF659 LNLPASLTEL669 HINDNMLKFF 679 NWTLLQQFPR689 LELLDLRGNK699 LLFLTDSLSD709 FTSSLRTLLL719 SHNRISHLPS 729 GFLSEVSSLK739 HLDLSSNLLK749 TINKSALETK759 TTTKLSMLEL769 HGNPFECTCD 779 IGDFRRWMDE789 HLNVKIPRLV799 DVICASPGDQ809 RGKSIVSLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M4D or .M4D2 or .M4D3 or :3M4D;style chemicals stick;color identity;select .A:520 or .A:543 or .A:545 or .A:572 or .A:573 or .A:574; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[(2R,3R,4S,5R)-4-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-dihydroxyphosphinothioyloxy-4-hydroxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(dihydroxyphosphinothioyloxymethyl)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with ORN06S | PDB:4R09 | ||||
| Method | X-ray diffraction | Resolution | 2.62 Å | Mutation | No | [1] |
| PDB Sequence |
RSYPCDEKKQ
40 VIAECSNRRL54 QEVPQTVGKY64 VTELDLSDNF74 ITHITNESFQ84 GLQNLTKINL 94 NHNPNVGLNI116 TDGAFLNLKN126 LRELLLEDNQ136 LPQIPSGLPE146 SLTELSLIQN 156 NIYNITKEGI166 SRLINLKNLY176 LAWNCYFNKV186 CEKTNIEDGV196 FETLTNLELL 206 SLSFNSLSHV216 PPKLPSSLRK226 LFLSNTQIKY236 ISEEDFKGLI246 NLTLLDLSGN 256 CPRCFNAPFP266 CVPCDGGASI276 NIDRFAFQNL286 TQLRYLNLSS296 TSLRKINAAW 306 FKNMPHLKVL316 DLEFNYLVGE326 IASGAFLTML336 PRLEILDLSF346 NYIKGSYPQH 356 INISRNFSKL366 LSLRALHLRG376 YVFQELREDD386 FQPLMQLPNL396 STINLGINFI 406 KQIDFKLFQN416 FSNLEIIYLS426 ENRISPLDFE460 FDPHSNFYHF470 TRPLIKPQCA 480 AYGKALDLSL490 NSIFFIGPNQ500 FENLPDIACL510 NLSANSNAQV520 LSGTEFSAIP 530 HVKYLDLTNN540 RLDFDNASAL550 TELSDLEVLD560 LSYNSHYFRI570 AGVTHHLEFI 580 QNFTNLKVLN590 LSHNNIYTLT600 DKYNLESKSL610 VELVFSGNRL620 DILWNDDDNR 630 YISIFKGLKN640 LTRLDLSLNR650 LKHIPNEAFL660 NLPASLTELH670 INDNMLKFFN 680 WTLLQQFPRL690 ELLDLRGNKL700 LFLTDSLSDF710 TSSLRTLLLS720 HNRISHLPSG 730 FLSEVSSLKH740 LDLSSNLLKT750 INKSALETKT760 TTKLSMLELH770 GNPFECTCDI 780 GDFRRWMDEH790 LNVKIPRLVD800 VICASPGDQR810 GKSIVSLEL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .06S or .06S2 or .06S3 or :306S;style chemicals stick;color identity;select .A:291 or .A:314 or .A:315 or .A:319 or .A:340 or .A:341 or .A:343 or .A:345 or .A:373 or .A:375 or .A:400 or .A:466 or .A:469 or .A:470 or .A:471 or .A:472 or .A:474; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Uridine 2',3'-cyclic phosphorothioate | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with ORN06S | PDB:4R09 | ||||
| Method | X-ray diffraction | Resolution | 2.62 Å | Mutation | No | [1] |
| PDB Sequence |
RSYPCDEKKQ
40 VIAECSNRRL54 QEVPQTVGKY64 VTELDLSDNF74 ITHITNESFQ84 GLQNLTKINL 94 NHNPNVGLNI116 TDGAFLNLKN126 LRELLLEDNQ136 LPQIPSGLPE146 SLTELSLIQN 156 NIYNITKEGI166 SRLINLKNLY176 LAWNCYFNKV186 CEKTNIEDGV196 FETLTNLELL 206 SLSFNSLSHV216 PPKLPSSLRK226 LFLSNTQIKY236 ISEEDFKGLI246 NLTLLDLSGN 256 CPRCFNAPFP266 CVPCDGGASI276 NIDRFAFQNL286 TQLRYLNLSS296 TSLRKINAAW 306 FKNMPHLKVL316 DLEFNYLVGE326 IASGAFLTML336 PRLEILDLSF346 NYIKGSYPQH 356 INISRNFSKL366 LSLRALHLRG376 YVFQELREDD386 FQPLMQLPNL396 STINLGINFI 406 KQIDFKLFQN416 FSNLEIIYLS426 ENRISPLDFE460 FDPHSNFYHF470 TRPLIKPQCA 480 AYGKALDLSL490 NSIFFIGPNQ500 FENLPDIACL510 NLSANSNAQV520 LSGTEFSAIP 530 HVKYLDLTNN540 RLDFDNASAL550 TELSDLEVLD560 LSYNSHYFRI570 AGVTHHLEFI 580 QNFTNLKVLN590 LSHNNIYTLT600 DKYNLESKSL610 VELVFSGNRL620 DILWNDDDNR 630 YISIFKGLKN640 LTRLDLSLNR650 LKHIPNEAFL660 NLPASLTELH670 INDNMLKFFN 680 WTLLQQFPRL690 ELLDLRGNKL700 LFLTDSLSDF710 TSSLRTLLLS720 HNRISHLPSG 730 FLSEVSSLKH740 LDLSSNLLKT750 INKSALETKT760 TTKLSMLELH770 GNPFECTCDI 780 GDFRRWMDEH790 LNVKIPRLVD800 VICASPGDQR810 GKSIVSLEL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UPT or .UPT2 or .UPT3 or :3UPT;style chemicals stick;color identity;select .A:262 or .A:264 or .A:265 or .A:296 or .A:320 or .A:346 or .A:375 or .A:403 or .A:466 or .A:467 or .A:468 or .A:469 or .A:470; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 14c | PDB:6V9U | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [12] |
| PDB Sequence |
RSYPCDEKSV
45 IAECSNRRLQ55 EVPQTVGKYV65 TELDLSDNFI75 THITNESFQG85 LQNLTKINLN 95 HNPNGLNITD118 GAFLNLKNLR128 ELLLEDNQLP138 QIPSGLPESL148 TELSLIQNNI 158 YNITKEGISR168 LINLKNLYLA178 WNCYFNCEKT190 NIEDGVFETL200 TNLELLSLSF 210 NSLSHVPPKL220 PSSLRKLFLS230 NTQIKYISEE240 DFKGLINLTL250 LDLSGNCPRC 260 FNAPFPCVPC270 DGGASINIDR280 FAFQNLTQLR290 YLNLSSTSLR300 KINAAWFKNM 310 PHLKVLDLEF320 NYLVGEIASG330 AFLTMLPRLE340 ILDLSFNYIK350 GSYPQHINIS 360 RNFSKLLSLR370 ALHLRGYVFQ380 ELREDDFQPL390 MQLPNLSTIN400 LGINFIKQID 410 FKLFQNFSNL420 EIIYLSENRI430 SPLVKFDPHS465 NFYHFTRPLI475 KPQCAAYGKA 485 LDLSLNSIFF495 IGPNQFENLP505 DIACLNLSAN515 SNAQVLSGTE525 FSAIPHVKYL 535 DLTNNRLDFD545 NASALTELSD555 LEVLDLSYNS565 HYFRIAGVTH575 HLEFIQNFTN 585 LKVLNLSHNN595 IYTLTDKYNL605 ESKSLVELVF615 SGNRLDILWN625 DDDNRYISIF 635 KGLKNLTRLD645 LSLNRLKHIP655 NEAFLNLPAS665 LTELHINDNM675 LKFFNWTLLQ 685 QFPRLELLDL695 RGNKLLFLTD705 SLSDFTSSLR715 TLLLSHNRIS725 HLPSGFLSEV 735 SSLKHLDLSS745 NLLKTINKSA755 LTKLSMLELH770 GNPFECTCDI780 GDFRRWMDEH 790 LNVKIPRLVD800 VICASPGDQR810 GKSIVSLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QSM or .QSM2 or .QSM3 or :3QSM;style chemicals stick;color identity;select .A:261 or .A:346 or .A:348 or .A:349 or .A:350 or .A:351 or .A:352 or .A:353 or .A:376 or .A:378 or .A:403 or .A:405 or .A:427; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(2,6-dimethylpyridin-4-yl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 21 | PDB:7RC9 | ||||
| Method | X-ray diffraction | Resolution | 2.76 Å | Mutation | No | [13] |
| PDB Sequence |
RSYPCDEKVI
46 AECSNRRLQE56 VPQTVGKYVT66 ELDLSDNFIT76 HITNESFQGL86 QNLTKINLNH 96 NPNGLNITDG119 AFLNLKNLRE129 LLLEDNQLPQ139 IPSGLPESLT149 ELSLIQNNIY 159 NITKEGISRL169 INLKNLYLAW179 NCYFNCEKTN191 IEDGVFETLT201 NLELLSLSFN 211 SLSHVPPKLP221 SSLRKLFLSN231 TQIKYISEED241 FKGLINLTLL251 DLSGNCPRCF 261 NAPFPCVPCD271 GGASINIDRF281 AFQNLTQLRY291 LNLSSTSLRK301 INAAWFKNMP 311 HLKVLDLEFN321 YLVGEIASGA331 FLTMLPRLEI341 LDLSFNYIKG351 SYPQHINISR 361 NFSKLLSLRA371 LHLRGYVFQE381 LREDDFQPLM391 QLPNLSTINL401 GINFIKQIDF 411 KLFQNFSNLE421 IIYLSENRIS431 PLVKFDPHSN466 FYHFTRPLIK476 PQCAAYGKAL 486 DLSLNSIFFI496 GPNQFENLPD506 IACLNLSANS516 NAQVLSGTEF526 SAIPHVKYLD 536 LTNNRLDFDN546 ASALTELSDL556 EVLDLSYNSH566 YFRIAGVTHH576 LEFIQNFTNL 586 KVLNLSHNNI596 YTLTDKYNLE606 SKSLVELVFS616 GNRLDILWND626 DDNRYISIFK 636 GLKNLTRLDL646 SLNRLKHIPN656 EAFLNLPASL666 TELHINDNML676 KFFNWTLLQQ 686 FPRLELLDLR696 GNKLLFLTDS706 LSDFTSSLRT716 LLLSHNRISH726 LPSGFLSEVS 736 SLKHLDLSSN746 LLKTINKSAL756 TKLSMLELHG771 NPFECTCDIG781 DFRRWMDEHL 791 NVKIPRLVDV801 ICASPGDQRG811 KSIVSLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RQY or .RQY2 or .RQY3 or :3RQY;style chemicals stick;color identity;select .A:261 or .A:346 or .A:348 or .A:349 or .A:350 or .A:351 or .A:352 or .A:353 or .A:376 or .A:378 or .A:403 or .A:405 or .A:427; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Methyl-4-(7-methoxy-4-quinolinyl)phenol | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with CU-CPT9a | PDB:5Z14 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [14] |
| PDB Sequence |
RSYPCDEKKQ
41 NDSVIAECSN51 RRLQEVPQTV61 GKYVTELDLS71 DNFITHITNE81 SFQGLQNLTK 91 INLNHNPNVN112 GLNITDGAFL122 NLKNLRELLL132 EDNQLPQIPS142 GLPESLTELS 152 LIQNNIYNIT162 KEGISRLINL172 KNLYLAWNCY182 FNKVCEKTNI192 EDGVFETLTN 202 LELLSLSFNS212 LSHVPPKLPS222 SLRKLFLSNT232 QIKYISEEDF242 KGLINLTLLD 252 LSGNCPRCFN262 APFPCVPCDG272 GASINIDRFA282 FQNLTQLRYL292 NLSSTSLRKI 302 NAAWFKNMPH312 LKVLDLEFNY322 LVGEIASGAF332 LTMLPRLEIL342 DLSFNYIKGS 352 YPQHINISRN362 FSKLLSLRAL372 HLRGYVFQEL382 REDDFQPLMQ392 LPNLSTINLG 402 INFIKQIDFK412 LFQNFSNLEI422 IYLSENRISP432 LVDPHSNFYH469 FTRPLIKPQC 479 AAYGKALDLS489 LNSIFFIGPN499 QFENLPDIAC509 LNLSANSNAQ519 VLSGTEFSAI 529 PHVKYLDLTN539 NRLDFDNASA549 LTELSDLEVL559 DLSYNSHYFR569 IAGVTHHLEF 579 IQNFTNLKVL589 NLSHNNIYTL599 TDKYNLESKS609 LVELVFSGNR619 LDILWNDDDN 629 RYISIFKGLK639 NLTRLDLSLN649 RLKHIPNEAF659 LNLPASLTEL669 HINDNMLKFF 679 NWTLLQQFPR689 LELLDLRGNK699 LLFLTDSLSD709 FTSSLRTLLL719 SHNRISHLPS 729 GFLSEVSSLK739 HLDLSSNLLK749 TINKSATKLS765 MLELHGNPFE775 CTCDIGDFRR 785 WMDEHLNVKI795 PRLVDVICAS805 PGDQRGKSIV815 SLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7VC or .7VC2 or .7VC3 or :37VC;style chemicals stick;color identity;select .A:261 or .A:262 or .A:346 or .A:348 or .A:349 or .A:350 or .A:351 or .A:352 or .A:376 or .A:378 or .A:403 or .A:405 or .A:494 or .A:495 or .A:516 or .A:518 or .A:519 or .A:520 or .A:525 or .A:567; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE261
3.056
ASN262
4.463
PHE346
4.142
TYR348
3.251
ILE349
3.877
LYS350
3.634
GLY351
2.969
SER352
3.634
GLY376
3.987
VAL378
3.897
|
|||||
| Ligand Name: 3-[5-Methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex TH1027 | PDB:6KYA | ||||
| Method | X-ray diffraction | Resolution | 2.89 Å | Mutation | No | [15] |
| PDB Sequence |
RSYPCDEKKQ
41 NDSVIAECSN51 RRLQEVPQTV61 GKYVTELDLS71 DNFITHITNE81 SFQGLQNLTK 91 INLNHNPNVN112 GLNITDGAFL122 NLKNLRELLL132 EDNQLPQIPS142 GLPESLTELS 152 LIQNNIYNIT162 KEGISRLINL172 KNLYLAWNCY182 FNKVCEKTNI192 EDGVFETLTN 202 LELLSLSFNS212 LSHVPPKLPS222 SLRKLFLSNT232 QIKYISEEDF242 KGLINLTLLD 252 LSGNCPRCFN262 APFPCVPCDG272 GASINIDRFA282 FQNLTQLRYL292 NLSSTSLRKI 302 NAAWFKNMPH312 LKVLDLEFNY322 LVGEIASGAF332 LTMLPRLEIL342 DLSFNYIKGS 352 YPQHINISRN362 FSKLLSLRAL372 HLRGYVFQEL382 REDDFQPLMQ392 LPNLSTINLG 402 INFIKQIDFK412 LFQNFSNLEI422 IYLSENRISP432 LVFDPHSNFY468 HFTRPLIKPQ 478 CAAYGKALDL488 SLNSIFFIGP498 NQFENLPDIA508 CLNLSANSNA518 QVLSGTEFSA 528 IPHVKYLDLT538 NNRLDFDNAS548 ALTELSDLEV558 LDLSYNSHYF568 RIAGVTHHLE 578 FIQNFTNLKV588 LNLSHNNIYT598 LTDKYNLESK608 SLVELVFSGN618 RLDILWNDDD 628 NRYISIFKGL638 KNLTRLDLSL648 NRLKHIPNEA658 FLNLPASLTE668 LHINDNMLKF 678 FNWTLLQQFP688 RLELLDLRGN698 KLLFLTDSLS708 DFTSSLRTLL718 LSHNRISHLP 728 SGFLSEVSSL738 KHLDLSSNLL748 KTINKSTKLS765 MLELHGNPFE775 CTCDIGDFRR 785 WMDEHLNVKI795 PRLVDVICAS805 PGDQRGKSIV815 SLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DY3 or .DY32 or .DY33 or :3DY3;style chemicals stick;color identity;select .A:261 or .A:262 or .A:346 or .A:348 or .A:349 or .A:350 or .A:351 or .A:352 or .A:376 or .A:377 or .A:378 or .A:403 or .A:405; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: CU-Cpd107 | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with CU-CPD107 | PDB:7CRF | ||||
| Method | X-ray diffraction | Resolution | 2.89 Å | Mutation | No | [16] |
| PDB Sequence |
RSYPCDEKKQ
41 NDSVIAECSN51 RRLQEVPQTV61 GKYVTELDLS71 DNFITHITNE81 SFQGLQNLTK 91 INLNHNPNNG113 LNITDGAFLN123 LKNLRELLLE133 DNQLPQIPSG143 LPESLTELSL 153 IQNNIYNITK163 EGISRLINLK173 NLYLAWNCYF183 NKVCEKTNIE193 DGVFETLTNL 203 ELLSLSFNSL213 SHVPPKLPSS223 LRKLFLSNTQ233 IKYISEEDFK243 GLINLTLLDL 253 SGNCPRCFNA263 PFPCVPCDGG273 ASINIDRFAF283 QNLTQLRYLN293 LSSTSLRKIN 303 AAWFKNMPHL313 KVLDLEFNYL323 VGEIASGAFL333 TMLPRLEILD343 LSFNYIKGSY 353 PQHINISRNF363 SKLLSLRALH373 LRGYVFQELR383 EDDFQPLMQL393 PNLSTINLGI 403 NFIKQIDFKL413 FQNFSNLEII423 YLSENRISPL433 VKDEFDPHSN466 FYHFTRPLIK 476 PQCAAYGKAL486 DLSLNSIFFI496 GPNQFENLPD506 IACLNLSANS516 NAQVLSGTEF 526 SAIPHVKYLD536 LTNNRLDFDN546 ASALTELSDL556 EVLDLSYNSH566 YFRIAGVTHH 576 LEFIQNFTNL586 KVLNLSHNNI596 YTLTDKYNLE606 SKSLVELVFS616 GNRLDILWND 626 DDNRYISIFK636 GLKNLTRLDL646 SLNRLKHIPN656 EAFLNLPASL666 TELHINDNML 676 KFFNWTLLQQ686 FPRLELLDLR696 GNKLLFLTDS706 LSDFTSSLRT716 LLLSHNRISH 726 LPSGFLSEVS736 SLKHLDLSSN746 LLKTINKLSM766 LELHGNPFEC776 TCDIGDFRRW 786 MDEHLNVKIP796 RLVDVICASP806 GDQRGKSIVS816 LELT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GD0 or .GD02 or .GD03 or :3GD0;style chemicals stick;color identity;select .A:494 or .A:495 or .A:518 or .A:519 or .A:520 or .A:543 or .A:567; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(7-Chloranylquinolin-4-yl)-2-methyl-phenol | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with CU-CPT9c | PDB:5Z15 | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [17] |
| PDB Sequence |
RSYPCDEKKQ
41 NDSVIAECSN51 RRLQEVPQTV61 GKYVTELDLS71 DNFITHITNE81 SFQGLQNLTK 91 INLNHNPNVN112 GLNITDGAFL122 NLKNLRELLL132 EDNQLPQIPS142 GLPESLTELS 152 LIQNNIYNIT162 KEGISRLINL172 KNLYLAWNCY182 FNKVCEKTNI192 EDGVFETLTN 202 LELLSLSFNS212 LSHVPPKLPS222 SLRKLFLSNT232 QIKYISEEDF242 KGLINLTLLD 252 LSGNCPRCFN262 APFPCVPCDG272 GASINIDRFA282 FQNLTQLRYL292 NLSSTSLRKI 302 NAAWFKNMPH312 LKVLDLEFNY322 LVGEIASGAF332 LTMLPRLEIL342 DLSFNYIKGS 352 YPQHINISRN362 FSKLLSLRAL372 HLRGYVFQEL382 REDDFQPLMQ392 LPNLSTINLG 402 INFIKQIDFK412 LFQNFSNLEI422 IYLSENRISP432 LVDPHSNFYH469 FTRPLIKPQC 479 AAYGKALDLS489 LNSIFFIGPN499 QFENLPDIAC509 LNLSANSNAQ519 VLSGTEFSAI 529 PHVKYLDLTN539 NRLDFDNASA549 LTELSDLEVL559 DLSYNSHYFR569 IAGVTHHLEF 579 IQNFTNLKVL589 NLSHNNIYTL599 TDKYNLESKS609 LVELVFSGNR619 LDILWNDDDN 629 RYISIFKGLK639 NLTRLDLSLN649 RLKHIPNEAF659 LNLPASLTEL669 HINDNMLKFF 679 NWTLLQQFPR689 LELLDLRGNK699 LLFLTDSLSD709 FTSSLRTLLL719 SHNRISHLPS 729 GFLSEVSSLK739 HLDLSSNLLK749 TINKSALTKL764 SMLELHGNPF774 ECTCDIGDFR 784 RWMDEHLNVK794 IPRLVDVICA804 SPGDQRGKSI814 VSL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7VL or .7VL2 or .7VL3 or :37VL;style chemicals stick;color identity;select .A:261 or .A:346 or .A:348 or .A:349 or .A:350 or .A:351 or .A:352 or .A:376 or .A:378 or .A:403 or .A:405 or .A:494 or .A:495 or .A:516 or .A:518 or .A:519 or .A:520 or .A:567; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with Compound 4 | PDB:7R54 | ||||
| Method | X-ray diffraction | Resolution | 2.84 Å | Mutation | No | [18] |
| PDB Sequence |
SRSYPCDEKK
40 QNDSVIAECS50 NRRLQEVPQT60 VGKYVTELDL70 SDNFITHITN80 ESFQGLQNLT 90 KINLNHNPNV100 GLNITDGAFL122 NLKNLRELLL132 EDNQLPQIPS142 GLPESLTELS 152 LIQNNIYNIT162 KEGISRLINL172 KNLYLAWNCY182 CEKTNIEDGV196 FETLTNLELL 206 SLSFNSLSHV216 PPKLPSSLRK226 LFLSNTQIKY236 ISEEDFKGLI246 NLTLLDLSGN 256 CPRCFNAPFP266 CVPCDGGASI276 NIDRFAFQNL286 TQLRYLNLSS296 TSLRKINAAW 306 FKNMPHLKVL316 DLEFNYLVGE326 IASGAFLTML336 PRLEILDLSF346 NYIKGSYPQH 356 INISRNFSKL366 LSLRALHLRG376 YVFQELREDD386 FQPLMQLPNL396 STINLGINFI 406 KQIDFKLFQN416 FSNLEIIYLS426 ENRISPLDPH464 SNFYHFTRPL474 IKPQCAAYGK 484 ALDLSLNSIF494 FIGPNQFENL504 PDIACLNLSA514 NSNAQVLSGT524 EFSAIPHVKY 534 LDLTNNRLDF544 DNASALTELS554 DLEVLDLSYN564 SHYFRIAGVT574 HHLEFIQNFT 584 NLKVLNLSHN594 NIYTLTKYNL605 ESKSLVELVF615 SGNRLDILWN625 NRYISIFKGL 638 KNLTRLDLSL648 NRLKHIPNEA658 FLNLPASLTE668 LHINDNMLKF678 FNWTLLQQFP 688 RLELLDLRGN698 KLLFLTDSLS708 DFTSSLRTLL718 LSHNRISHLP728 SGFLSEVSSL 738 KHLDLSSNLL748 KTINKSALET758 KTTTKLSMLE768 LHGNPFECTC778 DIGDFRRWMD 788 EHLNVKIPRL798 VDVICASPGD808 QRGKSIVSLE818
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I5B or .I5B2 or .I5B3 or :3I5B;style chemicals stick;color identity;select .A:494 or .A:495 or .A:516 or .A:517 or .A:518 or .A:567; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-methoxy-6-pyridin-4-yl-1~{H}-indole | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with Compound 2 | PDB:7R52 | ||||
| Method | X-ray diffraction | Resolution | 2.94 Å | Mutation | No | [18] |
| PDB Sequence |
SRSYPCDEKK
40 QNDSVIAECS50 NRRLQEVPQT60 VGKYVTELDL70 SDNFITHITN80 ESFQGLQNLT 90 KINLNHNPNG113 LNITDGAFLN123 LKNLRELLLE133 DNQLPQIPSG143 LPESLTELSL 153 IQNNIYNITK163 EGISRLINLK173 NLYLAWNCYC187 EKTNIEDGVF197 ETLTNLELLS 207 LSFNSLSHVP217 PKLPSSLRKL227 FLSNTQIKYI237 SEEDFKGLIN247 LTLLDLSGNC 257 PRCFNAPFPC267 VPCDGGASIN277 IDRFAFQNLT287 QLRYLNLSST297 SLRKINAAWF 307 KNMPHLKVLD317 LEFNYLVGEI327 ASGAFLTMLP337 RLEILDLSFN347 YIKGSYPQHI 357 NISRNFSKLL367 SLRALHLRGY377 VFQELREDDF387 QPLMQLPNLS397 TINLGINFIK 407 QIDFKLFQNF417 SNLEIIYLSE427 NRISPLDPHS465 NFYHFTRPLI475 KPQCAAYGKA 485 LDLSLNSIFF495 IGPNQFENLP505 DIACLNLSAN515 SNAQVLSGTE525 FSAIPHVKYL 535 DLTNNRLDFD545 NASALTELSD555 LEVLDLSYNS565 HHHLEFIQNF583 TNLKVLNLSH 593 NNIYTLTDKY603 NLESKSLVEL613 VFSGNRLDIL623 WNDDDNRYIS633 IFKGLKNLTR 643 LDLSLNRLKH653 IPNEAFLNLP663 ASLTELHIND673 NMLKFFNWTL683 LQQFPRLELL 693 DLRGNKLLFL703 TDSLSDFTSS713 LRTLLLSHNR723 ISHLPSGFLV735 SSLKHLDLSS 745 NLLKTINKSA755 LETKTTTKLS765 MLELHGNPFE775 CTCDIGDFRR785 WMDEHLNVKI 795 PRLVDVICAS805 PGDQRGKSIV815 SLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I6A or .I6A2 or .I6A3 or :3I6A;style chemicals stick;color identity;select .A:494 or .A:495 or .A:516 or .A:517 or .A:518 or .A:541; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine | Ligand Info | |||||
| Structure Description | Crystal structure of human TLR8 in complex with Compound 15 | PDB:7R53 | ||||
| Method | X-ray diffraction | Resolution | 3.12 Å | Mutation | No | [18] |
| PDB Sequence |
SRSYPCDEKK
40 QNDSVIAECS50 NRRLQEVPQT60 VGKYVTELDL70 SDNFITHITN80 ESFQGLQNLT 90 KINLNHNPNV100 GLNITDGAFL122 NLKNLRELLL132 EDNQLPQIPS142 GLPESLTELS 152 LIQNNIYNIT162 KEGISRLINL172 KNLYLAWNEK189 TNIEDGVFET199 LTNLELLSLS 209 FNSLSHVPPK219 LPSSLRKLFL229 SNTQIKYISE239 EDFKGLINLT249 LLDLSGNCPR 259 CFNAPFPCVP269 CDGGASINID279 RFAFQNLTQL289 RYLNLSSTSL299 RKINAAWFKN 309 MPHLKVLDLE319 FNYLVGEIAS329 GAFLTMLPRL339 EILDLSFNYI349 KGSYPQHINI 359 SRNFSKLLSL369 RALHLRGYVF379 QELREDDFQP389 LMQLPNLSTI399 NLGINFIKQI 409 DFKLFQNFSN419 LEIIYLSENR429 ISPLDPHSNF467 YHFTRPLIKP477 QCAAYGKALD 487 LSLNSIFFIG497 PNQFENLPDI507 ACLNLSANSN517 AQVLSGTEFS527 AIPHVKYLDL 537 TNNRLDFDNA547 SALTELSDLE557 VLDLSYNSHY567 FRIAGVTHHL577 EFIQNFTNLK 587 VLNLSHNNIY597 TLTLESKSLV611 ELVFSGNRLD621 ILWNDDDNRY631 ISIFKGLKNL 641 TRLDLSLNRL651 KHIPNEAFLN661 LPASLTELHI671 NDNMLKFFNW681 TLLQQFPRLE 691 LLDLRGNKLL701 FLTDSLSDFT711 SSLRTLLLSH721 NRISHLPSGF731 LSEVSSLKHL 741 DLSSNLLKTI751 NKSALETKTT761 TKLSMLELHG771 NPFECTCDIG781 DFRRWMDEHL 791 NVKIPRLVDV801 ICASPGDQRG811 KSIVSLE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I5N or .I5N2 or .I5N3 or :3I5N;style chemicals stick;color identity;select .A:261 or .A:346 or .A:348 or .A:349 or .A:350 or .A:351 or .A:352 or .A:376 or .A:378 or .A:403 or .A:405 or .A:427 or .A:494 or .A:495 or .A:516 or .A:517 or .A:518 or .A:519 or .A:520 or .A:541 or .A:567 or .A:568; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE261
3.398
PHE346
3.594
TYR348
3.469
ILE349
3.455
LYS350
3.596
GLY351
2.999
SER352
3.296
GLY376
3.842
VAL378
3.449
ILE403
3.933
PHE405
3.721
|
|||||
| Ligand Name: Enpatoran | Ligand Info | |||||
| Structure Description | Discovery of M5049: a novel selective TLR7/8 inhibitor for treatment of autoimmunity | PDB:6ZJZ | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [19] |
| PDB Sequence |
SRSYPCDEKK
40 QNDSVIAECS50 NRRLQEVPQT60 VGKYVTELDL70 SDNFITHITN80 ESFQGLQNLT 90 KINLNHNPNN112 GLNITDGAFL122 NLKNLRELLL132 EDNQLPQIPS142 GLPESLTELS 152 LIQNNIYNIT162 KEGISRLINL172 KNLYLAWNCY182 FNKVCEKTNI192 EDGVFETLTN 202 LELLSLSFNS212 LSHVPPKLPS222 SLRKLFLSNT232 QIKYISEEDF242 KGLINLTLLD 252 LSGNCPRCFN262 APFPCVPCDG272 GASINIDRFA282 FQNLTQLRYL292 NLSSTSLRKI 302 NAAWFKNMPH312 LKVLDLEFNY322 LVGEIASGAF332 LTMLPRLEIL342 DLSFNYIKGS 352 YPQHINISRN362 FSKLLSLRAL372 HLRGYVFQEL382 REDDFQPLMQ392 LPNLSTINLG 402 INFIKQIDFK412 LFQNFSNLEI422 IYLSENRISP432 LVFDPHSNFY468 HFTRPLIKPQ 478 CAAYGKALDL488 SLNSIFFIGP498 NQFENLPDIA508 CLNLSANSNA518 QVLSGTEFSA 528 IPHVKYLDLT538 NNRLDFDNAS548 ALTELSDLEV558 LDLSYNSHYF568 RIAGVTHHLE 578 FIQNFTNLKV588 LNLSHNNIYT598 LTDKYNLESK608 SLVELVFSGN618 RLDILWNDDD 628 NRYISIFKGL638 KNLTRLDLSL648 NRLKHIPNEA658 FLNLPASLTE668 LHINDNMLKF 678 FNWTLLQQFP688 RLELLDLRGN698 KLLFLTDSLS708 DFTSSLRTLL718 LSHNRISHLP 728 SGFVSSLKHL741 DLSSNLLKTI751 NTTKLSMLEL769 HGNPFECTCD779 IGDFRRWMDE 789 HLNVKIPRLV799 DVICASPGDQ809 RGKSIVS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QLH or .QLH2 or .QLH3 or :3QLH;style chemicals stick;color identity;select .A:346 or .A:348 or .A:349 or .A:350 or .A:351 or .A:352 or .A:376 or .A:378 or .A:403 or .A:405; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Toll-like receptor 8 senses degradation products of single-stranded RNA. Nat Struct Mol Biol. 2015 Feb;22(2):109-15. | ||||
| REF 2 | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands. Science. 2013 Mar 22;339(6126):1426-9. | ||||
| REF 3 | Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B. J Med Chem. 2020 Sep 24;63(18):10188-10203. | ||||
| REF 4 | Structure-based design of novel human Toll-like receptor 8 agonists. ChemMedChem. 2014 Apr;9(4):719-23. | ||||
| REF 5 | Determinants of activity at human Toll-like receptors 7 and 8: quantitative structure-activity relationship (QSAR) of diverse heterocyclic scaffolds. J Med Chem. 2014 Oct 9;57(19):7955-70. | ||||
| REF 6 | Structure-Based Design of Human TLR8-Specific Agonists with Augmented Potency and Adjuvanticity. J Med Chem. 2015 Oct 8;58(19):7833-49. | ||||
| REF 7 | Hybrid-2: AnImidazoquinoline Dual Toll-like receptor 7/8 Agonist that Potently Activates Cytokine Production by Human Newborn and Adult Leukocytes | ||||
| REF 8 | Structure-based Design of Human TLR8-specific Agonists with Augmented Potency and Adjuvanticity | ||||
| REF 9 | Small-molecule inhibition of TLR8 through stabilization of its resting state. Nat Chem Biol. 2018 Jan;14(1):58-64. | ||||
| REF 10 | Crystal structure of human TLR8 in complex with MB-343 | ||||
| REF 11 | Structure-based Design of Human TLR8-specific Agonists with Augmented Potency and Adjuvanticity | ||||
| REF 12 | Discovery of Potent and Orally Bioavailable Small Molecule Antagonists of Toll-like Receptors 7/8/9 (TLR7/8/9). ACS Med Chem Lett. 2020 Jul 29;11(9):1751-1758. | ||||
| REF 13 | Identification of 2-Pyridinylindole-Based Dual Antagonists of Toll-like Receptors 7 and 8 (TLR7/8). ACS Med Chem Lett. 2022 Apr 25;13(5):812-818. | ||||
| REF 14 | Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State | ||||
| REF 15 | Rationally Designed Small-Molecule Inhibitors Targeting an Unconventional Pocket on the TLR8 Protein-Protein Interface. J Med Chem. 2020 Apr 23;63(8):4117-4132. | ||||
| REF 16 | Tetrasubstituted imidazoles as incognito Toll-like receptor 8?a(nta)gonists. Nat Commun. 2021 Jul 16;12(1):4351. | ||||
| REF 17 | Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State | ||||
| REF 18 | Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist. ACS Med Chem Lett. 2022 Mar 10;13(4):658-664. | ||||
| REF 19 | Discovery of M5049: A Novel Selective Toll-Like Receptor 7/8 Inhibitor for Treatment of Autoimmunity. J Pharmacol Exp Ther. 2021 Mar;376(3):397-409. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.