Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Pemetrexed | Ligand Info | |||||
| Structure Description | Structure of hSLC19A1+PMX | PDB:8GOF | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
DPELRSWRHL
28 VCYLCFYGFM38 AQIRPGESFI48 TPYLLGPDKN58 FTREQVTNEI68 TPVLSYSYLA 78 VLVPVFLLTD88 YLRYTPVLLL98 QGLSFVSVWL108 LLLLGHSVAH118 MQLMELFYSV 128 TMAARIAYSS138 YIFSLVRPAR148 YQRVAGYSRA158 AVLLGVFTSS168 VLGQLLVTVG 178 RVSFSTLNYI188 SLAFLTFSVV198 LALFLKRPKR208 SLFFNRDDSV250 LARMLRELGD 260 SLRRPQLRLW270 SLWWVFNSAG280 YYLVVYYVHI290 LWNEVDPTTN300 SARVYNGAAD 310 AASTLLGAIT320 SFAAGFVKIR330 WARWSKLLIA340 GVTATQAGLV350 FLLAHTRHPS 360 SIWLCYAAFV370 LFRGSYQFLV380 PIATFQIASS390 LSKELCALVF400 GVNTFFATIV 410 KTIITFIVSD420 VRGLGLPVRK430 QFQLYSVYFL440 ILSIIYFLGA450 MLDGLRH |
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|
|
GLU45
4.894
ILE48
3.681
THR49
2.695
LEU52
3.356
VAL64
3.826
ILE68
4.477
THR69
4.140
LEU72
3.413
MET122
3.756
GLU123
2.704
TYR126
3.216
MET130
3.562
|
|||||
| Ligand Name: Methotrexate | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human reduced folate carrier in complex with methotrexate | PDB:7TX6 | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | Yes | [2] |
| 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
|
|||||
|
|
GLU45
4.322
ILE48
3.518
THR49
3.114
LEU52
3.828
VAL64
4.211
ILE68
4.387
THR69
3.598
LEU72
3.565
TYR76
3.093
MET122
4.278
GLU123
2.860
|
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| Ligand Name: Cyclic di-AMP | Ligand Info | |||||
| Structure Description | Structure of hSLC19A1+3'3'-CDA | PDB:7XQ0 | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
DPELRSWRHL
28 VCYLCFYGFM38 AQIRPGESFI48 TPYLLGPDKN58 FTREQVTNEI68 TPVLSYSYLA 78 VLVPVFLLTD88 YLRYTPVLLL98 QGLSFVSVWL108 LLLLGHSVAH118 MQLMELFYSV 128 TMAARIAYSS138 YIFSLVRPAR148 YQRVAGYSRA158 AVLLGVFTSS168 VLGQLLVTVG 178 RVSFSTLNYI188 SLAFLTFSVV198 LALFLKRPKR208 SLFFNRDDRM254 LRELGDSLRR 264 PQLRLWSLWW274 VFNSAGYYLV284 VYYVHILWNE294 VDPTTNSARV304 YNGAADAAST 314 LLGAITSFAA324 GFVKIRWARW334 SKLLIAGVTA344 TQAGLVFLLA354 HTRHPSSIWL 364 CYAAFVLFRG374 SYQFLVPIAT384 FQIASSLSKE394 LCALVFGVNT404 FFATIVKTII 414 TFIVSDVRGL424 GLPVRKQFQL434 YSVYFLILSI444 IYFLGAMLDG454 LR |
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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 .2BA or .2BA2 or .2BA3 or :32BA;style chemicals stick;color identity;select .A:133 or .A:134 or .A:137 or .A:138 or .A:149 or .A:150 or .A:157 or .A:160 or .A:274 or .A:278 or .A:282 or .A:321 or .A:328 or .A:376 or .A:377 or .A:380 or .A:381 or .A:384 or .A:385 or .A:388 or .A:393 or .A:396 or .A:400; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG133
3.678
ILE134
3.576
SER137
3.586
SER138
4.884
TYR149
3.170
GLN150
4.256
ARG157
3.244
VAL160
4.997
TRP274
3.368
SER278
4.759
TYR282
3.516
SER321
2.729
|
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| Ligand Name: Levomefolic acid | Ligand Info | |||||
| Structure Description | Structure of hSLC19A1+5-MTHF | PDB:8GOE | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
DPELRSWRHL
28 VCYLCFYGFM38 AQIRPGESFI48 TPYLLGPDKN58 FTREQVTNEI68 TPVLSYSYLA 78 VLVPVFLLTD88 YLRYTPVLLL98 QGLSFVSVWL108 LLLLGHSVAH118 MQLMELFYSV 128 TMAARIAYSS138 YIFSLVRPAR148 YQRVAGYSRA158 AVLLGVFTSS168 VLGQLLVTVG 178 RVSFSTLNYI188 SLAFLTFSVV198 LALFLKRPKR208 SLFFNRDDSV250 LARMLRELGD 260 SLRRPQLRLW270 SLWWVFNSAG280 YYLVVYYVHI290 LWNEVDPTTN300 SARVYNGAAD 310 AASTLLGAIT320 SFAAGFVKIR330 WARWSKLLIA340 GVTATQAGLV350 FLLAHTRHPS 360 SIWLCYAAFV370 LFRGSYQFLV380 PIATFQIASS390 LSKELCALVF400 GVNTFFATIV 410 KTIITFIVSD420 VRGLGLPVRK430 QFQLYSVYFL440 ILSIIYFLGA450 MLDGLRH |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .THH or .THH2 or .THH3 or :3THH;style chemicals stick;color identity;select .A:42 or .A:45 or .A:46 or .A:48 or .A:49 or .A:52 or .A:64 or .A:68 or .A:69 or .A:72 or .A:122 or .A:123 or .A:126 or .A:130 or .A:133 or .A:164 or .A:281 or .A:282 or .A:285 or .A:286 or .A:289 or .A:290 or .A:314 or .A:373 or .A:376 or .A:377; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG42
4.504
GLU45
3.733
SER46
4.938
ILE48
3.266
THR49
2.436
LEU52
4.203
VAL64
3.820
ILE68
4.711
THR69
3.546
LEU72
3.517
MET122
4.749
GLU123
3.073
TYR126
3.606
|
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| Ligand Name: Cgamp | Ligand Info | |||||
| Structure Description | Structure of hSLC19A1+2'3'-cGAMP | PDB:7XQ2 | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [1] |
| PDB Sequence |
DPELRSWRHL
28 VCYLCFYGFM38 AQIRPGESFI48 TPYLLGPDKN58 FTREQVTNEI68 TPVLSYSYLA 78 VLVPVFLLTD88 YLRYTPVLLL98 QGLSFVSVWL108 LLLLGHSVAH118 MQLMELFYSV 128 TMAARIAYSS138 YIFSLVRPAR148 YQRVAGYSRA158 AVLLGVFTSS168 VLGQLLVTVG 178 RVSFSTLNYI188 SLAFLTFSVV198 LALFLKRPKR208 SLFFNRDDRD248 SVLARMLREL 258 GDSLRRPQLR268 LWSLWWVFNS278 AGYYLVVYYV288 HILWNEVDPT298 TNSARVYNGA 308 ADAASTLLGA318 ITSFAAGFVK328 IRWARWSKLL338 IAGVTATQAG348 LVFLLAHTRH 358 PSSIWLCYAA368 FVLFRGSYQF378 LVPIATFQIA388 SSLSKELCAL398 VFGVNTFFAT 408 IVKTIITFIV418 SDVRGLGLPV428 RKQFQLYSVY438 FLILSIIYFL448 GAMLDGLRH |
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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 .1SY or .1SY2 or .1SY3 or :31SY;style chemicals stick;color identity;select .A:133 or .A:134 or .A:137 or .A:138 or .A:149 or .A:150 or .A:157 or .A:160 or .A:274 or .A:278 or .A:281 or .A:282 or .A:321 or .A:328 or .A:376 or .A:377 or .A:380 or .A:381 or .A:384 or .A:385 or .A:388 or .A:393 or .A:396 or .A:400; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG133
2.708
ILE134
2.906
SER137
3.373
SER138
4.890
TYR149
2.244
GLN150
3.543
ARG157
2.974
VAL160
4.944
TRP274
3.633
SER278
4.341
TYR281
4.383
TYR282
2.957
|
|||||
| Ligand Name: Adu-S100 free acid | Ligand Info | |||||
| Structure Description | Structure of hSLC19A1+2'3'-CDAS | PDB:7XQ1 | ||||
| Method | Electron microscopy | Resolution | 3.40 Å | Mutation | No | [1] |
| PDB Sequence |
DPELRSWRHL
28 VCYLCFYGFM38 AQIRPGESFI48 TPYLLGPDKN58 FTREQVTNEI68 TPVLSYSYLA 78 VLVPVFLLTD88 YLRYTPVLLL98 QGLSFVSVWL108 LLLLGHSVAH118 MQLMELFYSV 128 TMAARIAYSS138 YIFSLVRPAR148 YQRVAGYSRA158 AVLLGVFTSS168 VLGQLLVTVG 178 RVSFSTLNYI188 SLAFLTFSVV198 LALFLKRPKR208 SLFFNRDDAR253 MLRELGDSLR 263 RPQLRLWSLW273 WVFNSAGYYL283 VVYYVHILWN293 EVDPTTNSAR303 VYNGAADAAS 313 TLLGAITSFA323 AGFVKIRWAR333 WSKLLIAGVT343 ATQAGLVFLL353 AHTRHPSSIW 363 LCYAAFVLFR373 GSYQFLVPIA383 TFQIASSLSK393 ELCALVFGVN403 TFFATIVKTI 413 ITFIVSDVRG423 LGLPVRKQFQ433 LYSVYFLILS443 IIYFLGAMLD453 |
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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 .GJF or .GJF2 or .GJF3 or :3GJF;style chemicals stick;color identity;select .A:133 or .A:134 or .A:137 or .A:138 or .A:141 or .A:149 or .A:150 or .A:157 or .A:160 or .A:161 or .A:164 or .A:274 or .A:281 or .A:282 or .A:317 or .A:321 or .A:328 or .A:373 or .A:376 or .A:377 or .A:380 or .A:381 or .A:384 or .A:385 or .A:388 or .A:393 or .A:396 or .A:397 or .A:400 or .A:404; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG133
3.412
ILE134
3.481
SER137
3.627
SER138
4.851
PHE141
4.208
TYR149
2.919
GLN150
4.783
ARG157
2.743
VAL160
4.745
LEU161
4.883
VAL164
4.994
TRP274
4.047
TYR281
4.921
TYR282
3.104
GLY317
4.893
|
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| Ligand Name: Digitonin | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human reduced folate carrier in complex with methotrexate | PDB:7TX6 | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | Yes | [2] |
| 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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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJP or .AJP2 or .AJP3 or :3AJP;style chemicals stick;color identity;select .A:169 or .A:172 or .A:173 or .A:176 or .A:305 or .A:308 or .A:311 or .A:312 or .A:363; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Recognition of cyclic dinucleotides and folates by human SLC19A1. Nature. 2022 Dec;612(7938):170-176. | ||||
| REF 2 | Methotrexate recognition by the human reduced folate carrier SLC19A1. Nature. 2022 Sep;609(7929):1056-1062. | ||||
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