Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | UCPH-101 | Ligand Info | |||
| Canonical SMILES | COC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)C4=CC=CC5=CC=CC=C54)N)C#N | ||||
| InChI | 1S/C27H22N2O3/c1-31-19-11-9-17(10-12-19)25-22(15-28)27(29)32-24-14-18(13-23(30)26(24)25)21-8-4-6-16-5-2-3-7-20(16)21/h2-12,18,25H,13-14,29H2,1H3 | ||||
| InChIKey | YBMGNDPBARCLFT-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 25223366 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5LM4 Structure of the thermostalilized EAAT1 cryst-II mutant in complex with L-ASP and the allosteric inhibitor UCPH101 | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [1] |
| 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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| PDB ID: 5LLM Structure of the thermostabilized EAAT1 cryst mutant in complex with L-ASP and the allosteric inhibitor UCPH101 | ||||||
| Method | X-ray diffraction | Resolution | 3.25 Å | Mutation | Yes | [1] |
| PDB Sequence |
TKEDVKSFLR
46 RNALLLLTVL56 AVILGVVLGF66 LLRPYPLSPR76 EVKYFAFPGE86 LLMRMLKMLI 96 LPLIVSSLIT106 GLASLDAKAS116 GRLGMRAVVY126 YMSTTIIAVV136 LGIILVLIIH 146 PEVLDCFLDL179 ARNIFPSNLV189 SAAFRSYSTT199 PVGQEVEGMN222 ILGLVVFSMV 232 FGFALGKMGE242 QGQLLVDFFN252 SLNEATMKLV262 AIIMWYAPLG272 ILFLIAGKIV 282 EGGQLGMYMV299 TVIVGLVIHG309 LIVLPLIYFL319 ITRKNPFVFI329 AGILQALITA 339 LGTSSSSATL349 PITFKCLEEN359 NGVDKRITRF369 VLPVGATINM379 DGTALYEAVA 389 AIFIAQQIIT408 ISITATAASI418 GAAGIPQAGL428 VTMVIVLTAV438 GLPTDDITLI 448 IAVDWLLDRF458 RTMVNVLGDA468 LGAGIVEHLS478 RKELEKQDA
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| PDB ID: 5MJU Structure of the thermostabilized EAAT1 cryst mutant in complex with the competititve inhibitor TFB-TBOA and the allosteric inhibitor UCPH101 | ||||||
| Method | X-ray diffraction | Resolution | 3.71 Å | Mutation | Yes | [1] |
| 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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LEU104
3.966
LEU108
3.715
ALA113
4.071
SER116
3.217
GLY117
3.526
GLY120
3.709
MET121
4.528
ALA123
3.703
VAL124
3.525
TYR127
3.071
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure and allosteric inhibition of excitatory amino acid transporter 1. Nature. 2017 Apr 27;544(7651):446-451. | ||||
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