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 | Resiquimod | Ligand Info | |||
| Canonical SMILES | CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N | ||||
| InChI | 1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19) | ||||
| InChIKey | BXNMTOQRYBFHNZ-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 159603 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3W3N Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 3 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| 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 |
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| PDB ID: 3W3M Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 2 | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| 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 |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands. Science. 2013 Mar 22;339(6126):1426-9. | ||||
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