Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| 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 | |||
| Canonical SMILES | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C4C(C(O3)N5C=NC6=C5N=C(NC6=O)N)OP(=O)(O4)O)O | ||||
| InChI | 1S/C19H24N7O18P3/c20-18-23-14-9(15(29)24-18)21-5-26(14)17-13-12(43-47(36,37)44-13)7(41-17)4-39-46(34,35)42-11-6(3-38-45(31,32)33)40-16(10(11)28)25-2-1-8(27)22-19(25)30/h1-2,5-7,10-13,16-17,28H,3-4H2,(H,34,35)(H,36,37)(H,22,27,30)(H2,31,32,33)(H3,20,23,24,29)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1 | ||||
| InChIKey | UIVVUPHFWRPLKC-VMIOUTBZSA-N | ||||
| PubChem Compound ID | 135566941 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4R07 Crystal structure of human TLR8 in complex with ORN06 | ||||||
| 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
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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
|
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| PDB ID: 4R08 Crystal structure of human TLR8 in complex with ssRNA40 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
RSYPCDEKKQ
40 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 INKSALEKLS765 MLELHGNPFE775 CTCDIGDFRR 785 WMDEHLNVKI795 PRLVDVICAS805 PGDQRGKSIV815 SLE
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TYR291
4.050
LYS314
3.893
VAL315
3.143
GLU319
4.636
GLU340
2.898
ILE341
3.082
ASP343
2.725
SER345
4.224
ARG370
3.738
HIS373
3.332
ARG375
2.699
|
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| 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. | ||||
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