Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | Crystal structure of the ATP-gated human P2X3 ion channel in the ATP-bound, open state | PDB:5SVK | ||||
| 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Gefapixant | Ligand Info | |||||
| Structure Description | Crystal structure of human P2X3 receptor in complex with the AF-219 negative allosteric modulator | PDB:5YVE | ||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | Yes | [2] |
| PDB Sequence |
WTIGIINRVV
30 QLLIISYFVG40 WVFLHEKAYQ50 VRDTAIESSV60 VTKVKGSGLY70 ANRVMDVSDY 80 VTPPQGTSVF90 VIITKMIVTE100 NQMQGFCPES110 EEKYRCVSDS120 QCGPERLPGG 130 GILTGRCVNY140 SSVLRTCEIQ150 GWCPTEVDTV160 ETPIMMEAEN170 FTIFIKNSIR 180 FPLFNFEKGN190 LLPNLTARDM200 KTCRFHPDKD210 PFCPILRVGD220 VVKFAGQDFA 230 KLARTGGVLG240 IKIGWVCDLD250 KAWDQCIPKY260 SFTRLDSVSE270 KSSVSPGYNF 280 RFAKYYKMEN290 GSEYRTLLKA300 FGIRFDVLVY310 GNAGKFNIIP320 TIISSVAAFT 330 SVGVGTVLCD340 IILLNFL
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| Ligand Name: N-(2-Acetamido)Iminodiacetic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the ATP-gated human P2X3 ion channel in the ATP-bound, open state | PDB:5SVK | ||||
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MHA or .MHA2 or .MHA3 or :3MHA;style chemicals stick;color identity;select .A:330 or .A:331 or .A:334; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2MeSATP | Ligand Info | |||||
| Structure Description | Crystal structure of the ATP-gated human P2X3 ion channel bound to agonist 2-methylthio-ATP in the desensitized state | PDB:5SVM | ||||
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6AT or .6AT2 or .6AT3 or :36AT;style chemicals stick;color identity;select .A:127 or .A:128 or .A:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:281 or .A:299; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [3H]A317491 | Ligand Info | |||||
| Structure Description | Crystal structure of the ATP-gated human P2X3 ion channel bound to competitive antagonist A-317491 | PDB:5SVR | ||||
| Method | X-ray diffraction | Resolution | 3.13 Å | Mutation | Yes | [1] |
| PDB Sequence |
WTIGIINRVV
30 QLLIISYFVG40 WVFLHEKAYQ50 VRDTAIESSV60 VTKVKGSGLY70 ANRVMDVSDY 80 VTPPQGTSVF90 VIITKMIVTE100 NQMQGFCPES110 EEKYRCVSDS120 QCGPERLPGG 130 GILTGRCVNY140 SSVLRTCEIQ150 GWCPTEVDTV160 ETPIMMEAEN170 FTIFIKNSIR 180 FPLFNFEKGN190 LLPNLTARDM200 KTCRFHPDKD210 PFCPILRVGD220 VVKFAGQDFA 230 KLARTGGVLG240 IKIGWVCDLD250 KAWDQCIPKY260 SFTRLDSVSE270 KSSVSPGYNF 280 RFAKYYKMEN290 GSEYRTLLKA300 FGIRFDVLVY310 GNAGKFNIIP320 TIISSVAAFT 330 SVGVGTVLCD340 IILLNFL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .71C or .71C2 or .71C3 or :371C;style chemicals stick;color identity;select .A:158 or .A:272 or .A:273 or .A:274 or .A:275 or .A:279 or .A:281 or .A:299; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [4-(6-Aminopurin-9-yl)-6-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3',5'-dinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-ylidene]-dioxidoazanium | Ligand Info | |||||
| Structure Description | Crystal structure of the ATP-gated human P2X3 ion channel bound to competitive antagonist TNP-ATP | PDB:5SVQ | ||||
| Method | X-ray diffraction | Resolution | 3.25 Å | Mutation | Yes | [1] |
| PDB Sequence |
WTIGIINRVV
30 QLLIISYFVG40 WVFLHEKAYQ50 VRDTAIESSV60 VTKVKGSGLY70 ANRVMDVSDY 80 VTPPQGTSVF90 VIITKMIVTE100 NQMQGFCPES110 EEKYRCVSDS120 QCGPERLPGG 130 GILTGRCVNY140 SSVLRTCEIQ150 GWCPTEVDTV160 ETPIMMEAEN170 FTIFIKNSIR 180 FPLFNFEKGN190 LLPNLTARDM200 KTCRFHPDKD210 PFCPILRVGD220 VVKFAGQDFA 230 KLARTGGVLG240 IKIGWVCDLD250 KAWDQCIPKY260 SFTRLDSPGY278 NFRFAKYYKM 288 ENGSEYRTLL298 KAFGIRFDVL308 VYGNAGKFNI318 IPTIISSVAA328 FTSVGVGTVL 338 CDIILLNF
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .128 or .1282 or .1283 or :3128;style chemicals stick;color identity;select .A:158 or .A:238 or .A:266 or .A:276 or .A:277 or .A:278 or .A:279 or .A:281 or .A:299; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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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 | Druggable negative allosteric site of P2X3 receptors. Proc Natl Acad Sci U S A. 2018 May 8;115(19):4939-4944. | ||||
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