Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T81443 | Target Info | |||
| Target Name | Toll-like receptor 4 (TLR4) | ||||
| Synonyms | TLR-4; HToll; CD284 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | TLR4 | ||||
| Biochemical Class | Toll-like receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Myristic acid | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCCC(=O)O | ||||
| InChI | 1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) | ||||
| InChIKey | TUNFSRHWOTWDNC-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 11005 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4G8A Crystal structure of human TLR4 polymorphic variant D299G and T399I in complex with MD-2 and LPS | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [1] |
| PDB Sequence |
EPCVEVVPNI
36 TYQCMELNFY46 KIPDNLPFST56 KNLDLSFNPL66 RHLGSYSFFS76 FPELQVLDLS 86 RCEIQTIEDG96 AYQSLSHLST106 LILTGNPIQS116 LALGAFSGLS126 SLQKLVAVET 136 NLASLENFPI146 GHLKTLKELN156 VAHNLIQSFK166 LPEYFSNLTN176 LEHLDLSSNK 186 IQSIYCTDLR196 VLHQMPLLNL206 SLDLSLNPMN216 FIQPGAFKEI226 RLHKLTLRNN 236 FDSLNVMKTC246 IQGLAGLEVH256 RLVLGEFRNE266 GNLEKFDKSA276 LEGLCNLTIE 286 EFRLAYLDYY296 LDGIIDLFNC306 LTNVSSFSLV316 SVTIERVKDF326 SYNFGWQHLE 336 LVNCKFGQFP346 TLKLKSLKRL356 TFTSNKGGNA366 FSEVDLPSLE376 FLDLSRNGLS 386 FKGCCSQSDF396 GTISLKYLDL406 SFNGVITMSS416 NFLGLEQLEH426 LDFQHSNLKQ 436 MSEFSVFLSL446 RNLIYLDISH456 THTRVAFNGI466 FNGLSSLEVL476 KMAGNSFQEN 486 FLPDIFTELR496 NLTFLDLSQC506 QLEQLSPTAF516 NSLSSLQVLN526 MSHNNFFSLD 536 TFPYKCLNSL546 QVLDYSLNHI556 MTSKKQELQH566 FPSSLAFLNL576 TQNDFACTCE 586 HQSFLQWIKD596 QRQLLVEVER606 MECATPSDKQ616 GMPVLSLNIT626 C |
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| PDB ID: 3FXI Crystal structure of the human TLR4-human MD-2-E.coli LPS Ra complex | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [2] |
| PDB Sequence |
EPCVEVVPNI
36 TYQCMELNFY46 KIPDNLPFST56 KNLDLSFNPL66 RHLGSYSFFS76 FPELQVLDLS 86 RCEIQTIEDG96 AYQSLSHLST106 LILTGNPIQS116 LALGAFSGLS126 SLQKLVAVET 136 NLASLENFPI146 GHLKTLKELN156 VAHNLIQSFK166 LPEYFSNLTN176 LEHLDLSSNK 186 IQSIYCTDLR196 VLHQMPLLNL206 SLDLSLNPMN216 FIQPGAFKEI226 RLHKLTLRNN 236 FDSLNVMKTC246 IQGLAGLEVH256 RLVLGEFRNE266 GNLEKFDKSA276 LEGLCNLTIE 286 EFRLAYLDYY296 LDDIIDLFNC306 LTNVSSFSLV316 SVTIERVKDF326 SYNFGWQHLE 336 LVNCKFGQFP346 TLKLKSLKRL356 TFTSNKGGNA366 FSEVDLPSLE376 FLDLSRNGLS 386 FKGCCSQSDF396 GTTSLKYLDL406 SFNGVITMSS416 NFLGLEQLEH426 LDFQHSNLKQ 436 MSEFSVFLSL446 RNLIYLDISH456 THTRVAFNGI466 FNGLSSLEVL476 KMAGNSFQEN 486 FLPDIFTELR496 NLTFLDLSQC506 QLEQLSPTAF516 NSLSSLQVLN526 MSHNNFFSLD 536 TFPYKCLNSL546 QVLDYSLNHI556 MTSKKQELQH566 FPSSLAFLNL576 TQNDFACTCE 586 HQSFLQWIKD596 QRQLLVEVER606 MECATPSDKQ616 GMPVLSLNIT626 C |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural analyses of human Toll-like receptor 4 polymorphisms D299G and T399I. J Biol Chem. 2012 Nov 23;287(48):40611-7. | ||||
| REF 2 | The structural basis of lipopolysaccharide recognition by the TLR4-MD-2 complex. Nature. 2009 Apr 30;458(7242):1191-5. | ||||
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