Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T91681 | Target Info | |||
| Target Name | Thymine-DNA glycosylase (TDG) | ||||
| Synonyms | hTDG | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | TDG | ||||
| Biochemical Class | Uracil-DNA glycosylase (UDG) superfamily. TDG/mug family | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 5-Hydroxymethyluracil | Ligand Info | |||||
| Structure Description | Human TDG in a post-reactive complex with 5-hydroxymethyluracil (5hmU) | PDB:4FNC | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [1] |
| PDB Sequence |
SFNGVSEAEL
119 LTKTLPDILT129 FNLDIVIIGI139 NPGLMAAYKG149 HHYPGPGNHF159 WKCLFMSGLS 169 EVQLNHMDDH179 TLPGKYGIGF189 TNMVERTTPG199 SKDLSSKEFR209 EGGRILVQKL 219 QKYQPRIAVF229 NGKCIYEIFS239 KEVFGVKVKN249 LEFGLQPHKI259 PDTETLCYVM 269 PSSSARCAQF279 PRAQDKVHYY289 IKLKDLRDQL299 KGIERN
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| Ligand Name: Deoxyribose 5-phosphate | Ligand Info | |||||
| Structure Description | Human TDG in a post-reactive complex with 5-hydroxymethyluracil (5hmU) | PDB:4FNC | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [1] |
| PDB Sequence |
SFNGVSEAEL
119 LTKTLPDILT129 FNLDIVIIGI139 NPGLMAAYKG149 HHYPGPGNHF159 WKCLFMSGLS 169 EVQLNHMDDH179 TLPGKYGIGF189 TNMVERTTPG199 SKDLSSKEFR209 EGGRILVQKL 219 QKYQPRIAVF229 NGKCIYEIFS239 KEVFGVKVKN249 LEFGLQPHKI259 PDTETLCYVM 269 PSSSARCAQF279 PRAQDKVHYY289 IKLKDLRDQL299 KGIERN
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| Ligand Name: 2-Deoxy-5-phosphono-ribose | Ligand Info | |||||
| Structure Description | Human TDG N140A mutant IN A COMPLEX WITH 5-carboxylcytosine (5caC) | PDB:4JGC | ||||
| Method | X-ray diffraction | Resolution | 2.58 Å | Mutation | Yes | [2] |
| PDB Sequence |
SFNGVSEAEL
119 LTKTLPDILT129 FNLDIVIIGI139 APGLMAAYKG149 HHYPGPGNHF159 WKCLFMSGLS 169 EVQLNHMDDH179 TLPGKYGIGF189 TNMVERTTPG199 SKDLSSKEFR209 EGGRILVQKL 219 QKYQPRIAVF229 NGKCIYEIFS239 KEVFGVKVKN249 LEFGLQPHKI259 PDTETLCYVM 269 PSSSARCAQF279 PRAQDKVHYY289 IKLKDLRDQL299 KGIERN
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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 .ORP or .ORP2 or .ORP3 or :3ORP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:144 or .A:154 or .A:157 or .A:197 or .A:198 or .A:199 or .A:200 or .A:273 or .A:275; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cytosine-5-carboxylic acid | Ligand Info | |||||
| Structure Description | Human TDG N140A mutant IN A COMPLEX WITH 5-carboxylcytosine (5caC) | PDB:4JGC | ||||
| Method | X-ray diffraction | Resolution | 2.58 Å | Mutation | Yes | [2] |
| PDB Sequence |
SFNGVSEAEL
119 LTKTLPDILT129 FNLDIVIIGI139 APGLMAAYKG149 HHYPGPGNHF159 WKCLFMSGLS 169 EVQLNHMDDH179 TLPGKYGIGF189 TNMVERTTPG199 SKDLSSKEFR209 EGGRILVQKL 219 QKYQPRIAVF229 NGKCIYEIFS239 KEVFGVKVKN249 LEFGLQPHKI259 PDTETLCYVM 269 PSSSARCAQF279 PRAQDKVHYY289 IKLKDLRDQL299 KGIERN
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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 .1RT or .1RT2 or .1RT3 or :31RT;style chemicals stick;color identity;select .A:137 or .A:138 or .A:139 or .A:140 or .A:141 or .A:142 or .A:145 or .A:152 or .A:191 or .A:230 or .A:231 or .A:271 or .A:272 or .A:273; 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 | Excision of 5-hydroxymethyluracil and 5-carboxylcytosine by the thymine DNA glycosylase domain: its structural basis and implications for active DNA demethylation. Nucleic Acids Res. 2012 Nov 1;40(20):10203-14. | ||||
| REF 2 | Activity and crystal structure of human thymine DNA glycosylase mutant N140A with 5-carboxylcytosine DNA at low pH. DNA Repair (Amst). 2013 Jul;12(7):535-40. | ||||
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