Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86462 | Target Info | |||
| Target Name | Transthyretin (TTR) | ||||
| Synonyms | TBPA; Prealbumin; PALB; ATTR | ||||
| Target Type | Successful Target | ||||
| Gene Name | TTR | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Apigenin | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O | ||||
| InChI | 1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | ||||
| InChIKey | KZNIFHPLKGYRTM-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 5280443 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4WO0 Crystal structure of transthyretin in complex with apigenin | ||||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | No | [1] |
| PDB Sequence |
CPLMVKVLDA
19 VRGSPAINVA29 VHVFRKAADD39 TWEPFASGKT49 SESGELHGLT59 TEEEFVEGIY 69 KVEIDTKSYW79 KALGISPFHE89 HAEVVFTAND99 SGPRRYTIAA109 LLSPYSYSTT 119 AVVTN
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| PDB ID: 4DER Crystal Structure of the Wild Type TTR Binding Apigenin (TTRwt:API) | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
CPLMVKVLDA
19 VRGSPAINVA29 VHVFRKAADD39 TWEPFASGKT49 SESGELHGLT59 TEEEFVEGIY 69 KVEIDTKSYW79 KALGISPFHE89 HAEVVFTAND99 SGPRRYTIAA109 LLSPYSYSTT 119 AVVTNP
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural evidence for asymmetric ligand binding to transthyretin. Acta Crystallogr D Biol Crystallogr. 2015 Aug;71(Pt 8):1582-92. | ||||
| REF 2 | Flavonoid interactions with human transthyretin: combined structural and thermodynamic analysis. J Struct Biol. 2012 Oct;180(1):143-53. | ||||
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