Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T17140 | Target Info | |||
| Target Name | P2X purinoceptor 3 (P2RX3) | ||||
| Synonyms | P2X3 receptor; P2X3; P2RX3; ATP-gated ion channel P2X(3) | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | P2RX3 | ||||
| Biochemical Class | ATP-gated P2X receptor cation channel | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2MeSATP | Ligand Info | |||
| Canonical SMILES | CSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | XNOBOKJVOTYSJV-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 5310983 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5SVM Crystal structure of the ATP-gated human P2X3 ion channel bound to agonist 2-methylthio-ATP in the desensitized state | ||||||
| Method | X-ray diffraction | Resolution | 3.09 Å | Mutation | No | [1] |
| PDB Sequence |
GIINRVVQLL
33 IISYFVGWVF43 LHEKAYQVRD53 TAIESSVVTK63 VKGSGLYANR73 VMDVSDYVTP 83 PQGTSVFVII93 TKMIVTENQM103 QGFCPESEEK113 YRCVSDSQCG123 PERLPGGGIL 133 TGRCVNYSSV143 LRTCEIQGWC153 PTEVDTVETP163 IMMEAENFTI173 FIKNSIRFPL 183 FNFEKGNLLP193 NLTARDMKTC203 RFHPDKDPFC213 PILRVGDVVK223 FAGQDFAKLA 233 RTGGVLGIKI243 GWVCDLDKAW253 DQCIPKYSFT263 RLDSVSEKSS273 VSPGYNFRFA 283 KYYKMENGSE293 YRTLLKAFGI303 RFDVLVYGNA313 GKFNIIPTII323 SSVAAFTSVG 333 VGTVLCDIIL343 LNF
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| PDB ID: 5SVP Anomalous sulfur signal reveals the position of agonist 2-methylthio-ATP bound to the ATP-gated human P2X3 ion channel in the desensitized state | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [1] |
| PDB Sequence |
GIINRVVQLL
33 IISYFVGWVF43 LHEKAYQVRD53 TAIESSVVTK63 VKGSGLYANR73 VMDVSDYVTP 83 PQGTSVFVII93 TKMIVTENQM103 QGFCPESEEK113 YRCVSDSQCG123 PERLPGGGIL 133 TGRCVNYSSV143 LRTCEIQGWC153 PTEVDTVETP163 IMMEAENFTI173 FIKNSIRFPL 183 FNFEKGNLLP193 NLTARDMKTC203 RFHPDKDPFC213 PILRVGDVVK223 FAGQDFAKLA 233 RTGGVLGIKI243 GWVCDLDKAW253 DQCIPKYSFT263 RLDSVSEKSS273 VSPGYNFRFA 283 KYYKMENGSE293 YRTLLKAFGI303 RFDVLVYGNA313 GKFNIIPTII323 SSVAAFTSVG 333 VGTVLCDIIL343 LNF
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | X-ray structures define human P2X(3) receptor gating cycle and antagonist action. Nature. 2016 Oct 6;538(7623):66-71. | ||||
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