Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T35465 | Target Info | |||
| Target Name | Solute carrier family 19 member 1 (SLC19A1) | ||||
| Synonyms | Reduced folate carrier protein; RFC1; RFC; Placental folate transporter; Intestinal folate carrier 1; IFC-1; Folate transporter 1; FOLT; FLOT1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | SLC19A1 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Digitonin | Ligand Info | |||
| Canonical SMILES | CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1 | ||||
| InChI | 1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,53+,54-,55+,56-/m1/s1 | ||||
| InChIKey | UVYVLBIGDKGWPX-KUAJCENISA-N | ||||
| PubChem Compound ID | 6474107 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7TX6 Cryo-EM structure of the human reduced folate carrier in complex with methotrexate | ||||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
RSWRHLVCYL
32 CFYGFMAQIR42 PGESFITPYL52 LGPDKNFTRE62 QVTNEITPVL72 SYSYLAVLVP 82 VFLLTDYLRY92 TPVLLLQGLS102 FVSVWLLLLL112 GHSVAHMQLM122 ELFYSVTMAA 132 RIAYSSYIFS142 LVRPARYQRV152 AGYSRAAVLL162 GVFTSSVLGQ172 LLVTVGRVSF 182 STLNYISLAF192 LTFSVVLALF202 LKRPKRSLFL251 ARMLRELGDS261 LRRPQLRLWS 271 LWWVFNSAGY281 YLVVYYVHIL291 WNEVDPTTNS301 ARVYNGAADA311 ASTLLGAITS 321 FAAGFVKIRW331 ARWSKLLIAG341 VTATQAGLVF351 LLAHTRHPSS361 IWLCYAAFVL 371 FRGSYQFLVP381 IATFQIASSL391 SKELCALVFG401 VNTFFATIVK411 TIITFIVSDV 421 RGLGLPVRKQ431 FQLYSVYFLI441 LSIIYFLGAM451 LDGLRHCQ
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| PDB ID: 8DEP Cryo-EM structure of the human reduced folate carrier, apo condition | ||||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | No | [1] |
| PDB Sequence |
RSWRHLVCYL
32 CFYGFMAQIR42 PGESFITPYL52 LGPDKNFTRE62 QVTNEITPVL72 SYSYLAVLVP 82 VFLLTDYLRY92 TPVLLLQGLS102 FVSVWLLLLL112 GHSVAHMQLM122 ELFYSVTMAA 132 RIAYSSYIFS142 LVRPARYQRV152 AGYSRAAVLL162 GVFTSSVLGQ172 LLVTVGRVSF 182 STLNYISLAF192 LTFSVVLALF202 LKRPKRSLFL251 ARMLRELGDS261 LRRPQLRLWS 271 LWWVFNSAGY281 YLVVYYVHIL291 WNEVDPTTNS301 ARVYNGAADA311 ASTLLGAITS 321 FAAGFVKIRW331 ARWSKLLIAG341 VTATQAGLVF351 LLAHTRHPSS361 IWLCYAAFVL 371 FRGSYQFLVP381 IATFQIASSL391 SKELCALVFG401 VNTFFATIVK411 TIITFIVSDV 421 RGLGLPVRKQ431 FQLYSVYFLI441 LSIIYFLGAM451 LDGLRHCQ
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| PDB ID: 7TX7 Cryo-EM structure of the human reduced folate carrier | ||||||
| Method | Electron microscopy | Resolution | 3.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
RSWRHLVCYL
32 CFYGFMAQIR42 PGESFITPYL52 LGPDKNFTRE62 QVTNEITPVL72 SYSYLAVLVP 82 VFLLTDYLRY92 TPVLLLQGLS102 FVSVWLLLLL112 GHSVAHMQLM122 ELFYSVTMAA 132 RIAYSSYIFS142 LVRPARYQRV152 AGYSRAAVLL162 GVFTSSVLGQ172 LLVTVGRVSF 182 STLNYISLAF192 LTFSVVLALF202 LKRPKRSLLA252 RMLRELGDSL262 RRPQLRLWSL 272 WWVFNSAGYY282 LVVYYVHILW292 NEVDPTTNSA302 RVYNGAADAA312 STLLGAITSF 322 AAGFVKIRWA332 RWSKLLIAGV342 TATQAGLVFL352 LAHTRHPSSI362 WLCYAAFVLF 372 RGSYQFLVPI382 ATFQIASSLS392 KELCALVFGV402 NTFFATIVKT412 IITFIVSDVR 422 GLGLPVRKQF432 QLYSVYFLIL442 SIIYFLGAML452 DGLRHCQ
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Methotrexate recognition by the human reduced folate carrier SLC19A1. Nature. 2022 Sep;609(7929):1056-1062. | ||||
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