Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02702 | Target Info | |||
| Target Name | Bacterial Dihydrofolate reductase (Bact DHFR) | ||||
| Synonyms | Bact Dihydrofolate reductase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | Bact DHFR | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2,4-Diaminopyrimidine | Ligand Info | |||
| Canonical SMILES | C1=CN=C(N=C1N)N | ||||
| InChI | 1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8) | ||||
| InChIKey | YAAWASYJIRZXSZ-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 67431 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5UIP structure of DHFR with bound DAP, p-ABG and NADP | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
GISLIAALAV
10 DRVIGMENAM20 PWNLPADLAW30 FKRNTLNKPV40 IMGRHTWESI50 GRPLPGRKNI 60 ILSSQPGTDD70 RVTWVKSVDE80 AIAACGDVPE90 IMVIGGGRVY100 EQFLPKAQKL 110 YLTHIDAEVE120 GDTHFPDYEP130 DDWESVFSEF140 HDADAQNSHS150 YSFEILERR |
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| PDB ID: 5UIO structure of DHFR with bound DAP, p-ABG and NADP | ||||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [1] |
| PDB Sequence |
MMISLIAALA
9 VDRVIGMENA19 MPWNLPADLA29 WFKRNTLNKP39 VIMGRHTWES49 IGRPLPGRKN 59 IILSSQPGTD69 DRVTWVKSVD79 EAIAACGDVP89 EIMVIGGGRV99 YEQFLPKAQK 109 LYLTHIDAEV119 EGDTHFPDYE129 PDDWESVFSE139 FHDADAQNSH149 SYCFEILERR 159
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A Structural Basis for Biguanide Activity. Biochemistry. 2017 Sep 12;56(36):4786-4798. | ||||
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