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 | Adenosine triphosphate | Ligand Info | |||
| Canonical SMILES | C1=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/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 5957 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5SVK Crystal structure of the ATP-gated human P2X3 ion channel in the ATP-bound, open state | ||||||
| Method | X-ray diffraction | Resolution | 2.77 Å | Mutation | Yes | [1] |
| PDB Sequence |
FFTYETPKVI
16 VVKSWTIGII26 NRVVQLLIIS36 YFVGWVFLHE46 KAYQVRDTAI56 ESSVVTKVKG 66 SGLYANRVMD76 VSDYVTPPQG86 TSVFVIITKM96 IVTENQMQGF106 CPESEEKYRC 116 VSDSQCGPER126 LPGGGILTGR136 CVNYSSVLRT146 CEIQGWCPTE156 VDTVETPIMM 166 EAENFTIFIK176 NSIRFPLFNF186 EKGNLLPNLT196 ARDMKTCRFH206 PDKDPFCPIL 216 RVGDVVKFAG226 QDFAKLARTG236 GVLGIKIGWV246 CDLDKAWDQC256 IPKYSFTRLD 266 SVSEKSSVSP276 GYNFRFAKYY286 KMENGSEYRT296 LLKAFGIRFD306 VLVYGNAGKF 316 NIIPTIISSV326 AAFTSVGVGT336 VLCDIILLNF346 LKGADQYKAK356 KFEEVNE |
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| PDB ID: 5SVL Crystal structure of the ATP-gated human P2X3 ion channel in the ATP-bound, closed (desensitized) state | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
KSVVVKSWTI
23 GIINRVVQLL33 IISYFVGWVF43 LHEKAYQVRD53 TAIESSVVTK63 VKGSGLYANR 73 VMDVSDYVTP83 PQGTSVFVII93 TKMIVTENQM103 QGFCPESEEK113 YRCVSDSQCG 123 PERLPGGGIL133 TGRCVNYSSV143 LRTCEIQGWC153 PTEVDTVETP163 IMMEAENFTI 173 FIKNSIRFPL183 FNFEKGNLLP193 NLTARDMKTC203 RFHPDKDPFC213 PILRVGDVVK 223 FAGQDFAKLA233 RTGGVLGIKI243 GWVCDLDKAW253 DQCIPKYSFT263 RLDSVSEKSS 273 VSPGYNFRFA283 KYYKMENGSE293 YRTLLKAFGI303 RFDVLVYGNA313 GKFNIIPTII 323 SSVAAFTSVG333 VGTVLCDIIL343 LNF
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| PDB ID: 6AH4 Structure of human P2X3 receptor in complex with ATP and Ca2+ ion | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [2] |
| PDB Sequence |
FFTYETPKVI
16 VVKSWTIGII26 NRVVQLLIIS36 YFVGWVFLHE46 KAYQVRDTAI56 ESSVVTKVKG 66 SGLYANRVMD76 VSDYVTPPQG86 TSVFVIITKM96 IVTENQMQGF106 CPESEEKYRC 116 VSDSQCGPER126 LPGGGILTGR136 CVNYSSVLRT146 CEIQGWCPTE156 VDTVETPIMM 166 EAENFTIFIK176 NSIRFPLFNF186 EKGNLLPNLT196 ARDMKTCRFH206 PDKDPFCPIL 216 RVGDVVKFAG226 QDFAKLARTG236 GVLGIKIGWV246 CDLDKAWDQC256 IPKYSFTRLD 266 SVSEKSSVSP276 GYNFRFAKYY286 KMENGSEYRT296 LLKAFGIRFD306 VLVYGNAGKF 316 NIIPTIISSV326 AAFTSVGVGT336 VLCDIILLNF346 LKGADQYKAK356 KFEEVNE |
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| PDB ID: 6AH5 Structure of human P2X3 receptor in complex with ATP and Mg2+ ion | ||||||
| Method | X-ray diffraction | Resolution | 3.82 Å | Mutation | No | [2] |
| PDB Sequence |
FFTYETPKVI
16 VVKSWTIGII26 NRVVQLLIIS36 YFVGWVFLHE46 KAYQVRDTAI56 ESSVVTKVKG 66 SGLYANRVMD76 VSDYVTPPQG86 TSVFVIITKM96 IVTENQMQGF106 CPESEEKYRC 116 VSDSQCGPER126 LPGGGILTGR136 CVNYSSVLRT146 CEIQGWCPTE156 VDTVETPIMM 166 EAENFTIFIK176 NSIRFPLFNF186 EKGNLLPNLT196 ARDMKTCRFH206 PDKDPFCPIL 216 RVGDVVKFAG226 QDFAKLARTG236 GVLGIKIGWV246 CDLDKAWDQC256 IPKYSFTRLD 266 SVSEKSSVSP276 GYNFRFAKYY286 KMENGSEYRT296 LLKAFGIRFD306 VLVYGNAGKF 316 NIIPTIISSV326 AAFTSVGVGT336 VLCDIILLNF346 LKGADQYKAK356 KFEEVNE |
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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. | ||||
| REF 2 | Molecular mechanisms of human P2X3 receptor channel activation and modulation by divalent cation bound ATP. Elife. 2019 Jun 24;8:e47060. | ||||
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