Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| 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 | Hexadecane | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCCCCC | ||||
| InChI | 1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 | ||||
| InChIKey | DCAYPVUWAIABOU-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 11006 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7LI6 apo SERT reconstituted in lipid nanodisc in KCl | ||||||
| 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 IKSITPETP
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| PDB ID: 7LI8 apo serotonin transporter reconstituted in lipid nanodisc in presence of NaCl in inward open conformation | ||||||
| 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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| References | Top | ||||
|---|---|---|---|---|---|
| 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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