Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99338 | Target Info | |||
| Target Name | Stimulator of interferon genes protein (TMEM173) | ||||
| Synonyms | Mediator of IRF3 activation; Endoplasmic reticulum interferon stimulator; ERIS | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | TMEM173 | ||||
| Biochemical Class | TMEM173 family | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Vadimezan | Ligand Info | |||
| Canonical SMILES | CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O)C | ||||
| InChI | 1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19) | ||||
| InChIKey | XGOYIMQSIKSOBS-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 123964 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4QXO Crystal structure of hSTING(group2) in complex with DMXAA | ||||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | Yes | [1] |
| PDB Sequence |
SVAHGLAWSY
163 YIGYLRLILP173 ELQARIRTYN183 QHYNNLLRGA193 VSQRLYILLP203 LDCGVPDNLS 213 MADPNIRFRD223 MLPQQNIDRA233 GIKNRVYSNS243 VYELLENGQR253 AGTCVLEYAT 263 PLQTLFAMSQ273 YSQAGFSRED283 RLEQAKLFCR293 TLEDILADAP303 ESQNNCRLIA 313 YQEPADDSSF323 SLSQEVLRHL333 RQ
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| PDB ID: 4QXR Crystal structure of hSTING(S162A/G230I/Q266I) in complex with DMXAA | ||||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | Yes | [1] |
| PDB Sequence |
SVAHGLAWAY
163 YIGYLRLILP173 ELQARIRTYN183 QHYNNLLRGA193 VSQRLYILLP203 LDCGVPDNLS 213 MADPNIRFLD223 KLPQQTIDRA233 GIKDRVYSNS243 IYELLENGQR253 AGTCVLEYAT 263 PLITLFAMSQ273 YSQAGFSRED283 RLEQAKLFCR293 TLEDILADAP303 ESQNNCRLIA 313 YQEPADDSSF323 SLSQEVLRHL333 RQ
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| PDB ID: 4QXQ Crystal structure of hSTING(S162A/Q266I) in complex with DMXAA | ||||||
| Method | X-ray diffraction | Resolution | 2.42 Å | Mutation | Yes | [1] |
| PDB Sequence |
SVAHGLAWAY
163 YIGYLRLILP173 ELQARIRTYN183 QHYNNLLRGA193 VSQRLYILLP203 LDCGVPDNLS 213 MADPNIRFLD223 KLPQQTGDRA233 GIKDRVYSNS243 IYELLENGQR253 AGTCVLEYAT 263 PLITLFAMSQ273 YSQAGFSRED283 RLEQAKLFCR293 TLEDILADAP303 ESQNNCRLIA 313 YQEPADDSSF323 SLSQEVLRHL333 RQ
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| PDB ID: 4QXP Crystal structure of hSTING(G230I) in complex with DMXAA | ||||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | Yes | [1] |
| PDB Sequence |
SVAHGLAWSY
163 YIGYLRLILP173 ELQARIRTYN183 QHYNNLLRGA193 VSQRLYILLP203 LDCGVPDNLS 213 MADPNIRFLD223 KLPQQTIDRA233 GIKDRVYSNS243 IYELLENGQR253 AGTCVLEYAT 263 PLQTLFAMSQ273 YSQAGFSRED283 RLEQAKLFCR293 TLEDILADAP303 ESQNNCRLIA 313 YQEPADDSSF323 SLSQEVLRHL333 RQ
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Binding-pocket and lid-region substitutions render human STING sensitive to the species-specific drug DMXAA. Cell Rep. 2014 Sep 25;8(6):1668-1676. | ||||
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