Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T59493 | Target Info | |||
| Target Name | Alanine/serine/cysteine transporter 2 (SLC1A5) | ||||
| Synonyms | Solute carrier family 1 member 5; Sodium-dependent neutral amino acid transporter type 2; RDRC; RDR; RD114/simian type D retrovirus receptor; Neutral amino acid transporter B(0); M7V1; Baboon M7 virus receptor; ATB(0); ASCT2 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | SLC1A5 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: L-glutamine | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human neutral amino acid transporter ASCT2 | PDB:6MPB | ||||
| Method | Electron microscopy | Resolution | 3.84 Å | Mutation | No | [1] |
| PDB Sequence |
DQVRRCLRAN
52 LLVLLTVVAV62 VAGVALGLGV72 SGAGGALALG82 PERLSAFVFP92 GELLLRLLRM 102 IILPLVVCSL112 IGGAASLDPG122 ALGRLGAWAL132 LFFLVTTLLA142 SALGVGLALA 152 LQPGAASAAI162 NASVGAAGSA172 ENAPSKEVLD182 SFLDLARNIF192 PSNLVSAAFR 202 SYSTTYEERN212 ITGTRVKVPV222 GQEVEGMNIL232 GLVVFAIVFG242 VALRKLGPEG 252 ELLIRFFNSF262 NEATMVLVSW272 IMWYAPVGIM282 FLVAGKIVEM292 EDVGLLFARL 302 GKYILCCLLG312 HAIHGLLVLP322 LIYFLFTRKN332 PYRFLWGIVT342 PLATAFGTSS 352 SSATLPLMMK362 CVEENNGVAK372 HISRFILPIG382 ATVNMDGAAL392 FQCVAAVFIA 402 QLSQQSLDFV412 KIITILVTAT422 ASSVGAAGIP432 AGGVLTLAII442 LEAVNLPVDH 452 ISLILAVDWL462 VDRSCTVLNV472 EGDALGAGLL482 QNYVDR
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SER351
3.916
SER352
3.351
SER353
2.487
SER354
4.293
MET387
4.695
ALA390
3.338
PHE393
4.974
ALA428
4.894
ALA429
3.390
GLY430
3.538
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: L-aspartic acid | Ligand Info | |||||
| Structure Description | Structure of the thermostalilized EAAT1 cryst-II mutant in complex with L-ASP and the allosteric inhibitor UCPH101 | PDB:5LM4 | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [2] |
| PDB Sequence |
EDVKSFLRRN
48 ALLLLTVLAV58 ILGVVLGFLL68 RPYPLSPREV78 KYFAFPGELL88 MRMLKMLILP 98 LIVSSLITGL108 ASLDAKASGR118 LGMRAVVYYM128 STTIIAVVLG138 IILVLIIEVL 173 DCFLDLARNI183 FPSNLVSAAF193 RSYSTQEVEG220 MNILGLVVFS230 IVFGIALGKM 240 GEQGQLLVDF250 FNSLNEATMK260 LVAIIMWYAP270 LGILFLIAGK280 IVEGMYMVTV 301 IVGLVIHGLI311 VLPLIYFLIT321 RKNPFVFIAG331 ILQALITALG341 TSSSSATLPI 351 TFKCLEENNG361 VDKRITRFVL371 PVGATINMDG381 TALYEAVAAI391 FIAQDFGQII 407 TISITATAAS417 IGAAGIPQAG427 LVTMVIVLTA437 VGLPTDDITL447 IIAVDWLLDR 457 FRTMVNVLGD467 ALGAGIVEHL477 SRKELEKQD
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: UCPH-101 | Ligand Info | |||||
| Structure Description | Structure of the thermostalilized EAAT1 cryst-II mutant in complex with L-ASP and the allosteric inhibitor UCPH101 | PDB:5LM4 | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [2] |
| PDB Sequence |
EDVKSFLRRN
48 ALLLLTVLAV58 ILGVVLGFLL68 RPYPLSPREV78 KYFAFPGELL88 MRMLKMLILP 98 LIVSSLITGL108 ASLDAKASGR118 LGMRAVVYYM128 STTIIAVVLG138 IILVLIIEVL 173 DCFLDLARNI183 FPSNLVSAAF193 RSYSTQEVEG220 MNILGLVVFS230 IVFGIALGKM 240 GEQGQLLVDF250 FNSLNEATMK260 LVAIIMWYAP270 LGILFLIAGK280 IVEGMYMVTV 301 IVGLVIHGLI311 VLPLIYFLIT321 RKNPFVFIAG331 ILQALITALG341 TSSSSATLPI 351 TFKCLEENNG361 VDKRITRFVL371 PVGATINMDG381 TALYEAVAAI391 FIAQDFGQII 407 TISITATAAS417 IGAAGIPQAG427 LVTMVIVLTA437 VGLPTDDITL447 IIAVDWLLDR 457 FRTMVNVLGD467 ALGAGIVEHL477 SRKELEKQD
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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 .6Z6 or .6Z62 or .6Z63 or :36Z6;style chemicals stick;color identity;select .A:104 or .A:108 or .A:113 or .A:116 or .A:117 or .A:120 or .A:121 or .A:123 or .A:124 or .A:127 or .A:224 or .A:227 or .A:228 or .A:231 or .A:235 or .A:369 or .A:370 or .A:373 or .A:377; 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 | ||||||
| Ligand Name: (2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid | Ligand Info | |||||
| Structure Description | ASCT2 in the presence of the inhibitor Lc-BPE (position "down") in the outward-open conformation. | PDB:7BCS | ||||
| Method | Electron microscopy | Resolution | 3.43 Å | Mutation | No | [3] |
| PDB Sequence |
RCLRANLLVL
56 LTVVAVVAGV66 ALGLGVSGAG76 GALALGPERL86 SAFVFPGELL96 LRLLRMIILP 106 LVVCSLIGGA116 ASLDPGALGR126 LGAWALLFFL136 VTTLLASALG146 VGLALALQPG 156 AASAAINASV166 GAAGSAENAP176 SKEVLDSFLD186 LARNIFPSNL196 VSAAFRSYST 206 TYEERNITGT216 RVKVPVGQEV226 EGMNILGLVV236 FAIVFGVALR246 KLGPEGELLI 256 RFFNSFNEAT266 MVLVSWIMWY276 APVGIMFLVA286 GKIVEMEDVG296 LLFARLGKYI 306 LCCLLGHAIH316 GLLVLPLIYF326 LFTRKNPYRF336 LWGIVTPLAT346 AFGTSSSSAT 356 LPLMMKCVEE366 NNGVAKHISR376 FILPIGATVN386 MDGAALFQCV396 AAVFIAQLSQ 406 QSLDFVKIIT416 ILVTATASSV426 GAAGIPAGGV436 LTLAIILEAV446 NLPVDHISLI 456 LAVDWLVDRS466 CTVLNVEGDA476 LGAGLLQNYV486 DR
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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 .TJ5 or .TJ52 or .TJ53 or :3TJ5;style chemicals stick;color identity;select .A:104 or .A:108 or .A:229 or .A:231 or .A:351 or .A:352 or .A:353 or .A:354 or .A:357 or .A:383 or .A:384 or .A:387 or .A:390 or .A:393 or .A:428 or .A:429 or .A:431 or .A:432 or .A:434 or .A:435 or .A:464 or .A:467 or .A:468 or .A:471; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE104
3.010
VAL108
3.912
MET229
4.773
ILE231
2.856
SER351
3.568
SER352
2.733
SER353
2.252
SER354
2.698
LEU357
3.054
ALA383
2.873
THR384
3.482
MET387
2.965
|
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| Ligand Name: 4-(4-Phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid | Ligand Info | |||||
| Structure Description | ASCT2 in the presence of the inhibitor Lc-BPE (position "up") in the outward-open conformation. | PDB:7BCQ | ||||
| Method | Electron microscopy | Resolution | 3.43 Å | Mutation | No | [3] |
| PDB Sequence |
RCLRANLLVL
56 LTVVAVVAGV66 ALGLGVSGAG76 GALALGPERL86 SAFVFPGELL96 LRLLRMIILP 106 LVVCSLIGGA116 ASLDPGALGR126 LGAWALLFFL136 VTTLLASALG146 VGLALALQPG 156 AASAAINASV166 GAAGSAENAP176 SKEVLDSFLD186 LARNIFPSNL196 VSAAFRSYST 206 TYEERNITGT216 RVKVPVGQEV226 EGMNILGLVV236 FAIVFGVALR246 KLGPEGELLI 256 RFFNSFNEAT266 MVLVSWIMWY276 APVGIMFLVA286 GKIVEMEDVG296 LLFARLGKYI 306 LCCLLGHAIH316 GLLVLPLIYF326 LFTRKNPYRF336 LWGIVTPLAT346 AFGTSSSSAT 356 LPLMMKCVEE366 NNGVAKHISR376 FILPIGATVN386 MDGAALFQCV396 AAVFIAQLSQ 406 QSLDFVKIIT416 ILVTATASSV426 GAAGIPAGGV436 LTLAIILEAV446 NLPVDHISLI 456 LAVDWLVDRS466 CTVLNVEGDA476 LGAGLLQNYV486 DR
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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 .TG2 or .TG22 or .TG23 or :3TG2;style chemicals stick;color identity;select .A:97 or .A:101 or .A:351 or .A:352 or .A:353 or .A:354 or .A:355 or .A:387 or .A:390 or .A:393 or .A:428 or .A:429 or .A:431 or .A:432 or .A:434 or .A:435 or .A:464 or .A:467 or .A:468 or .A:471; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU97
4.012
ARG101
2.726
SER351
3.762
SER352
2.567
SER353
2.427
SER354
3.550
ALA355
3.832
MET387
2.869
ALA390
3.253
PHE393
3.977
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| Ligand Name: Tfb-tboa | Ligand Info | |||||
| Structure Description | Structure of the thermostabilized EAAT1 cryst mutant in complex with the competititve inhibitor TFB-TBOA and the allosteric inhibitor UCPH101 | PDB:5MJU | ||||
| Method | X-ray diffraction | Resolution | 3.71 Å | Mutation | Yes | [2] |
| PDB Sequence |
TKEDVKSFLR
46 RNALLLLTVL56 AVILGVVLGF66 LLRPYPLSPR76 EVKYFAFPGE86 LLMRMLKMLI 96 LPLIVSSLIT106 GLASLDAKAS116 GRLGMRAVVY126 YMSTTIIAVV136 LGIILVLIIH 146 EVLDCFLDLA180 RNIFPSNLVS190 AAFRSYSTTG215 QEVEGMNILG225 LVVFSMVFGF 235 ALGKMGEQGQ245 LLVDFFNSLN255 EATMKLVAII265 MWYAPLGILF275 LIAGKIVEGQ 293 LGMYMVTVIV303 GLVIHGLIVL313 PLIYFLITRK323 NPFVFIAGIL333 QALITALGTS 343 SSSATLPITF353 KCLEENNGVD363 KRITRFVLPV373 GATINMDGTA383 LYEAVAAIFI 393 AQVNQIITIS410 ITATAASIGA420 AGIPQAGLVT430 MVIVLTAVGL440 PTDDITLIIA 450 VDWLLDRFRT460 MVNVLGDALG470 AGIVEHLSRK480 ELEKQDA
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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 .7O9 or .7O92 or .7O93 or :37O9;style chemicals stick;color identity;select .A:96 or .A:100 or .A:223 or .A:343 or .A:344 or .A:345 or .A:346 or .A:349 or .A:372 or .A:375 or .A:376 or .A:379 or .A:382 or .A:419 or .A:420 or .A:425 or .A:426 or .A:427 or .A:429 or .A:456 or .A:459 or .A:460 or .A:463; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE96
3.341
ILE100
3.442
ILE223
3.248
SER343
2.774
SER344
3.447
SER345
2.705
SER346
3.386
LEU349
3.162
PRO372
3.112
ALA375
3.332
THR376
3.580
MET379
3.680
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Cryo-EM structures of the human glutamine transporter SLC1A5 (ASCT2) in the outward-facing conformation. Elife. 2019 Oct 3;8:e48120. | ||||
| REF 2 | Structure and allosteric inhibition of excitatory amino acid transporter 1. Nature. 2017 Apr 27;544(7651):446-451. | ||||
| REF 3 | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach. Proc Natl Acad Sci U S A. 2021 Sep 14;118(37):e2104093118. | ||||
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