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 | Heptane | Ligand Info | |||
| Canonical SMILES | CCCCCCC | ||||
| InChI | 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 | ||||
| InChIKey | IMNFDUFMRHMDMM-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 8900 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| 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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|
|
GLY115
4.237
LEU118
4.258
TYR163
4.084
CYS166
3.910
ILE167
3.974
LEU245
3.940
LEU248
3.774
ILE251
3.631
TRP253
3.833
ALA256
4.907
MET260
3.977
THR264
4.745
VAL265
3.980
PHE268
3.656
SER269
3.661
VAL280
3.762
LEU296
3.803
ALA300
4.250
VAL309
3.800
LEU310
4.579
LEU313
3.640
VAL374
4.869
PHE377
4.049
THR381
4.519
VAL450
3.924
PHE454
3.682
ARG461
4.030
ARG464
4.876
PHE465
3.738
LEU467
4.765
ALA468
3.890
VAL469
4.030
ILE471
3.780
THR472
3.645
PHE474
3.643
PHE475
4.535
LEU478
4.227
VAL479
3.885
VAL488
3.783
LEU557
3.455
MET558
4.468
PRO560
4.101
TRP573
3.765
LEU577
3.783
TYR579
3.683
ILE581
4.640
THR591
3.810
ALA594
3.888
TYR595
3.914
LEU597
4.156
ILE598
3.860
PHE604
4.785
ARG607
4.380
|
|||||
| 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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|
|
PHE127
3.663
TYR163
3.606
CYS166
4.508
ILE167
3.839
LEU248
4.317
GLY249
4.043
MET260
4.302
PHE263
3.907
THR264
3.425
TYR267
3.722
PHE268
4.718
LEU296
4.523
VAL297
3.853
ALA300
3.806
LEU320
4.551
TRP326
4.756
VAL450
3.816
PHE454
4.011
TRP458
4.069
PHE465
4.406
LEU467
4.592
ALA468
4.144
VAL470
4.467
ILE471
3.849
THR472
3.379
PHE474
3.617
PHE475
4.059
LEU478
4.179
VAL479
4.988
THR482
4.630
ILE518
4.700
ARG538
4.404
ILE539
4.255
VAL542
3.759
ALA543
4.774
PHE548
3.696
CYS588
4.428
PRO590
4.723
THR591
4.490
TYR592
4.156
ILE593
4.715
ALA594
3.793
TYR595
4.609
LEU597
4.767
PHE604
4.762
|
|||||
| 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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|
|
TYR163
3.710
LEU245
4.390
GLN246
4.090
VAL283
3.356
THR284
4.294
PHE287
1.491
ILE426
4.293
LEU429
3.712
MET430
3.616
THR433
4.763
ALA468
4.419
ILE471
4.013
|
|||||
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HP6 or .HP62 or .HP63 or :3HP6;style chemicals stick;color identity;select .A:248 or .A:249 or .A:251 or .A:464 or .A:467 or .A:468 or .A:471 or .A:472 or .A:478 or .A:479 or .A:482; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HP6 or .HP62 or .HP63 or :3HP6;style chemicals stick;color identity;select .A:248 or .A:249 or .A:280 or .A:284 or .A:436 or .A:478 or .A:479 or .A:483 or .A:557 or .A:572 or .A:573 or .A:576 or .A:577 or .A:579 or .A:580 or .A:583; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7LI7 apo serotonin transporter reconstituted in lipid nanodisc in presence of NaCl in occluded conformation | ||||||
| Method | Electron microscopy | Resolution | 4.10 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HP6 or .HP62 or .HP63 or :3HP6;style chemicals stick;color identity;select .A:245 or .A:248 or .A:251 or .A:253 or .A:256 or .A:260 or .A:265 or .A:268 or .A:269 or .A:280 or .A:284 or .A:433 or .A:436 or .A:474 or .A:478 or .A:479 or .A:482 or .A:483 or .A:488 or .A:573 or .A:576 or .A:577 or .A:580; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU245
3.962
LEU248
4.392
ILE251
3.711
TRP253
4.931
ALA256
4.398
MET260
4.526
VAL265
4.212
PHE268
4.913
SER269
4.707
VAL280
4.427
THR284
4.378
THR433
4.398
|
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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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