Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15739 | Target Info | |||
| Target Name | Cellular tumor antigen p53 (TP53) | ||||
| Synonyms | Tumor suppressor p53; Phosphoprotein p53; P53; Antigen NY-CO-13 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | TP53 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Arsenic | Ligand Info | |||
| Canonical SMILES | [As] | ||||
| InChI | 1S/As | ||||
| InChIKey | RQNWIZPPADIBDY-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 5359596 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7DHZ Arsenic-bound p53 DNA-binding domain mutant R249S | ||||||
| Method | X-ray diffraction | Resolution | 1.74 Å | Mutation | Yes | [1] |
| PDB Sequence |
VPSQKTYQGS
106 YGFRLGFLHS116 GTAKSVTCTY126 SPALNKMFCQ136 LAKTCPVQLW146 VDSTPPPGTR 156 VRAMAIYKQS166 QHMTEVVRRC176 PHHERCSDSD186 GLAPPQHLIR196 VEGNLRVEYL 206 DDRNTFRHSV216 VVPYEPPEVG226 SDCTTIHYNY236 MCNSSCMGGM246 NRSPILTIIT 256 LEDSSGNLLG266 RNSFEVRVCA276 CPGRDRRTEE286 ENL
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| PDB ID: 7EDS Human p53 core domain with germline hot spot mutation M133T in complex with the natural PIG3 p53-response element and Arsenic | ||||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | Yes | [2] |
| PDB Sequence |
SSSVPSQKTY
103 QGSYGFRLGF113 LVTCTYSPAL130 NKTFCQLAKT140 CPVQLWVDST150 PPPGTRVRAM 160 AIYKQSQHMT170 EVVRRCPHHE180 RCSDSDGLAP190 PQHLIRVEGN200 LRVEYLDDRN 210 TFRHSVVVPY220 EPPEVGSDCT230 TIHYNYMCNS240 SCMGGMNRRP250 ILTIITLEDS 260 SGNLLGRNSF270 EVRVCACPGR280 DRRTEEENLR290 KKG
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| PDB ID: 7V97 Arsenic-bound p53 DNA-binding domain mutant V272M | ||||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | Yes | [3] |
| PDB Sequence |
SVPSQKTYQG
105 SYGFRLGFLH115 SGTAKSVTCT125 YSPALNKMFC135 QLAKTCPVQL145 WVDSTPPPGT 155 RVRAMAIYKQ165 SQHMTEVVRR175 CPHHERCSDS185 DGLAPPQHLI195 RVEGNLRVEY 205 LDDRNTFRHS215 VVVPYEPPEV225 GSDCTTIHYN235 YMCNSSCMGG245 MNRRPILTII 255 TLEDSSGNLL265 GRNSFEMRVC275 ACPGRDRRTE285 EENL
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| PDB ID: 7DHY Arsenic-bound p53 DNA-binding domain mutant G245S | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [1] |
| PDB Sequence |
VPSQKTYQGS
106 YGFRLGFLHS116 GTAKSVTCTY126 SPALNKMFCQ136 LAKTCPVQLW146 VDSTPPPGTR 156 VRAMAIYKQS166 QHMTEVVRRC176 PHHERCSDSD186 GLAPPQHLIR196 VEGNLRVEYL 206 DDRNTFRHSV216 VVPYEPPEVG226 SDCTTIHYNY236 MCNSSCMGSM246 NRRPILTIIT 256 LEDSSGNLLG266 RNSFEVRVCA276 CPGRDRRTEE286 ENL
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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 .ARS or .ARS2 or .ARS3 or :3ARS;style chemicals stick;color identity;select .A:123 or .A:124 or .A:125 or .A:133 or .A:134 or .A:135 or .A:140 or .A:141; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7EEU Human p53 core domain with hot spot mutation R282W in complex with the natural CDKN1A(p21) p53-response element and Arsenic | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | Yes | [4] |
| PDB Sequence |
SSVPSQKTYQ
104 GSYGFRLGFL114 HSGTAKSVTC124 TYSPALNKMF134 CQLAKTCPVQ144 LWVDSTPPPG 154 TRVRAMAIYK164 QSQHMTEVVR174 RCPHHERCSD184 SDGLAPPQHL194 IRVEGNLRVE 204 YLDDRNTFRH214 SVVVPYEPPE224 VGSDCTTIHY234 NYMCNSSCMG244 GMNRRPILTI 254 ITLEDSSGNL264 LGRNSFEVRV274 CACPGRDWRT284 EEENLRKK
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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 .ARS or .ARS2 or .ARS3 or :3ARS;style chemicals stick;color identity;select .A:124 or .A:133 or .A:134 or .A:135 or .A:139 or .A:140 or .A:141; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Arsenic Trioxide Rescues Structural p53 Mutations through a Cryptic Allosteric Site. Cancer Cell. 2021 Feb 8;39(2):225-239.e8. | ||||
| REF 2 | Arsenic-bound p53 Hotspot mutant M133T in complex with the natural PIG3 p53-response element | ||||
| REF 3 | Landscape of arsenic-rescuable p53 mutations potentializes personalized p53-targeted therapy | ||||
| REF 4 | Human p53 core domain with hot spot mutation R282W in complex with the natural CDKN1A(p21) p53-response element and Arsenic | ||||
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