Target Binding Site Detail
Target General Information | Top | ||||
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Target ID | T27812 | Target Info | |||
Target Name | Serotonin transporter (SERT) | ||||
Synonyms | Solute carrier family 6 member 4; HTT; 5HTT; 5HT transporter | ||||
Target Type | Successful Target | ||||
Gene Name | SLC6A4 | ||||
Biochemical Class | Neurotransmitter:sodium symporter | ||||
UniProt ID |
Ligand General Information | Top | ||||
---|---|---|---|---|---|
Ligand Name | Serotonin | Ligand Info | |||
Canonical SMILES | C1=CC2=C(C=C1O)C(=CN2)CCN | ||||
InChI | 1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | ||||
InChIKey | QZAYGJVTTNCVMB-UHFFFAOYSA-N | ||||
PubChem Compound ID | 5202 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 7LIA 5-HT bound serotonin transporter reconstituted in lipid nanodisc in presence of NaCl in outward facing conformation | ||||||
Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [1] |
PDB Sequence |
RETWGKKVDF
88 LLSVIGYAVD98 LGNVWRFPYI108 CYQNGGGAFL118 LPYTIMAIFG128 GIPLFYMELA 138 LGQYHRNGCI148 SIWRKICPIF158 KGIGYAICII168 AFYIASYYNT178 IMAWALYYLI 188 SSFTDQLPWT198 SCKNSWNTGN208 CTNYFSEDNI218 TWTLHSTSPA228 EEFYTRHVLQ 238 IHRSKGLQDL248 GGISWQLALC258 IMLIFTVIYF268 SIWKGVKTSG278 KVVWVTATFP 288 YIILSVLLVR298 GATLPGAWRG308 VLFYLKPNWQ318 KLLETGVWID328 AAAQIFFSLG 338 PGFGVLLAFA348 SYNKFNNNCY358 QDALVTSVVN368 CMTSFVSGFV378 IFTVLGYMAE 388 MRNEDVSEVA398 KDAGPSLLFI408 TYAEAIANMP418 ASTFFAIIFF428 LMLITLGLDS 438 TFAGLEGVIT448 AVLDEFPHVW458 AKRRERFVLA468 VVITCFFGSL478 VTLTFGGAYV 488 VKLLEEYATG498 PAVLTVALIE508 AVAVSWFYGI518 TQFCRDVKEM528 LGFSPGWFWR 538 ICWVAISPLF548 LLFIICSFLM558 SPPQLRLFQY568 NYPYWSIILG578 YCIGTSSFIC 588 IPTYIAYRLI598 ITPGTFKERI608 IKSITPETP
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TYR95
3.869
ASP98
3.664
ALA169
3.715
ILE172
3.607
ALA173
3.490
TYR176
3.759
ASN177
4.423
PHE335
4.353
PHE341
3.488
VAL343
4.552
SER438
3.809
THR439
3.088
GLY442
3.512
LEU443
4.303
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PDB ID: 7LI9 5-HT bound serotonin transporter reconstituted in lipid nanodisc in KCl | ||||||
Method | Electron microscopy | Resolution | 3.90 Å | Mutation | No | [1] |
PDB Sequence |
RETWGKKVDF
88 LLSVIGYAVD98 LGNVWRFPYI108 CYQNGGGAFL118 LPYTIMAIFG128 GIPLFYMELA 138 LGQYHRNGCI148 SIWRKICPIF158 KGIGYAICII168 AFYIASYYNT178 IMAWALYYLI 188 SSFTDQLPWT198 SCKNSWNTGN208 CTNYFSEDNI218 TWTLHSTSPA228 EEFYTRHVLQ 238 IHRSKGLQDL248 GGISWQLALC258 IMLIFTVIYF268 SIWKGVKTSG278 KVVWVTATFP 288 YIILSVLLVR298 GATLPGAWRG308 VLFYLKPNWQ318 KLLETGVWID328 AAAQIFFSLG 338 PGFGVLLAFA348 SYNKFNNNCY358 QDALVTSVVN368 CMTSFVSGFV378 IFTVLGYMAE 388 MRNEDVSEVA398 KDAGPSLLFI408 TYAEAIANMP418 ASTFFAIIFF428 LMLITLGLDS 438 TFAGLEGVIT448 AVLDEFPHVW458 AKRRERFVLA468 VVITCFFGSL478 VTLTFGGAYV 488 VKLLEEYATG498 PAVLTVALIE508 AVAVSWFYGI518 TQFCRDVKEM528 LGFSPGWFWR 538 ICWVAISPLF548 LLFIICSFLM558 SPPQLRLFQY568 NYPYWSIILG578 YCIGTSSFIC 588 IPTYIAYRLI598 ITPGTFKERI608 IKSITPETP
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|
ASP98
3.571
ALA169
3.979
ILE172
3.597
ALA173
4.258
TYR176
3.811
ILE327
3.987
ASP328
3.257
PHE335
3.610
SER336
4.528
PHE341
3.351
VAL343
4.141
SER438
3.805
THR439
3.514
|
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PDB ID: 7MGW 5-HT bound serotonin transporter reconstituted in lipid nanodisc in NaCl in occluded conformation | ||||||
Method | Electron microscopy | Resolution | 3.50 Å | Mutation | No | [1] |
PDB Sequence |
RETWGKKVDF
88 LLSVIGYAVD98 LGNVWRFPYI108 CYQNGGGAFL118 LPYTIMAIFG128 GIPLFYMELA 138 LGQYHRNGCI148 SIWRKICPIF158 KGIGYAICII168 AFYIASYYNT178 IMAWALYYLI 188 SSFTDQLPWT198 SCKNSWNTGN208 CTNYFSEDNI218 TWTLHSTSPA228 EEFYTRHVLQ 238 IHRSKGLQDL248 GGISWQLALC258 IMLIFTVIYF268 SIWKGVKTSG278 KVVWVTATFP 288 YIILSVLLVR298 GATLPGAWRG308 VLFYLKPNWQ318 KLLETGVWID328 AAAQIFFSLG 338 PGFGVLLAFA348 SYNKFNNNCY358 QDALVTSVVN368 CMTSFVSGFV378 IFTVLGYMAE 388 MRNEDVSEVA398 KDAGPSLLFI408 TYAEAIANMP418 ASTFFAIIFF428 LMLITLGLDS 438 TFAGLEGVIT448 AVLDEFPHVW458 AKRRERFVLA468 VVITCFFGSL478 VTLTFGGAYV 488 VKLLEEYATG498 PAVLTVALIE508 AVAVSWFYGI518 TQFCRDVKEM528 LGFSPGWFWR 538 ICWVAISPLF548 LLFIICSFLM558 SPPQLRLFQY568 NYPYWSIILG578 YCIGTSSFIC 588 IPTYIAYRLI598 ITPGTFKERI608 IKSITPE
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|||||
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TYR95
3.354
ASP98
2.403
ALA169
3.544
ILE172
3.428
ALA173
3.323
TYR176
4.612
ASP328
3.650
PHE335
3.451
SER336
4.892
PHE341
3.342
SER438
3.401
THR439
2.519
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References | Top | ||||
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REF 1 | Illumination of serotonin transporter mechanism and role of the allosteric site. Sci Adv. 2021 Dec 3;7(49):eabl3857. |
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