Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T52382 | Target Info | |||
| Target Name | Lymphocyte antigen 96 (LY96) | ||||
| Synonyms | MD-2 protein; MD-2; LY96; ESOP-1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | LY96 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Lauric acid | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCC(=O)O | ||||
| InChI | 1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) | ||||
| InChIKey | POULHZVOKOAJMA-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 3893 | ||||
| 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 |
QKQYWVCNSS
28 DASISYTYCD38 KMQYPISINV48 NPCIELKGSK58 GLLHIFYIPR68 RDLKQLYFNL 78 YITVNTMNLP88 KRKEVICRGS98 DDDYSFCRAL108 KGETVNTTIS118 FSFKGIKFSK 128 GKYKCVVEAI138 SGSPEEMLFC148 LEFVILHQPN158
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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 |
QKQYWVCNSS
28 DASISYTYCD38 KMQYPISINV48 NPCIELKGSK58 GLLHIFYIPR68 RDLKQLYFNL 78 YITVNTMNLP88 KRKEVICRGS98 DDDYSFCRAL108 KGETVNTTIS118 FSFKGIKFSK 128 GKYKCVVEAI138 SGSPEEMLFC148 LEFVILHQPN158
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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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