Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Paroxetine | Ligand Info | |||||
| Structure Description | X-ray structure of the ts3 human serotonin transporter complexed with paroxetine at the central site | PDB:5I6X | ||||
| Method | X-ray diffraction | Resolution | 3.14 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSQGERETWG
83 KKVDFLLSVI93 GYAVDLGNVW103 RFPYICAQNG113 GGAFLLPYTI123 MAIFGGIPLF 133 YMELALGQYH143 RNGCISIWRK153 ICPIFKGIGY163 AICIIAFYIA173 SYYNTIMAWA 183 LYYLISSFTD193 QLPWTSCKNS203 WNTGNCTNYF213 SEDNITWTLH223 STSPAEEFYT 233 RHVLQIHRSK243 GLQDLGGISW253 QLALCIMLIF263 TVIYFSIWKG273 VKTSGKVVWV 283 TATFPYIALS293 VLLVRGATLP303 GAWRGVLFYL313 KPNWQKLLET323 GVWIDAAAQI 333 FFSLGPGFGV343 LLAFASYNKF353 NNNCYQDALV363 TSVVNCMTSF373 VSGFVIFTVL 383 GYMAEMRNED393 VSEVAKDAGP403 SLLFITYAEA413 IANMPASTFF423 AIIFFLMLIT 433 LGLDSSFAGL443 EGVITAVLDE453 FPHVWAKRRE463 RFVLAVVITC473 FFGSLVTLTF 483 GGAYVVKLLE493 EYATGPAVLT503 VALIEAVAVS513 WFYGITQFCR523 DVKEMLGFSP 533 GWFWRICWVA543 ISPLFLLFII553 ASFLMSPPQL563 RLFQYNYPYW573 SIILGYAIGT 583 SSFICIPTYI593 AYRLIITPGT603 FKERIIKSIT613 PETP
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TYR95
3.187
ALA96
3.157
VAL97
4.680
ASP98
3.088
ASN101
4.996
ILE168
4.867
ALA169
3.444
ILE172
3.234
ALA173
4.020
TYR176
3.733
PHE335
3.239
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Escitalopram | Ligand Info | |||||
| Structure Description | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site | PDB:5I71 | ||||
| Method | X-ray diffraction | Resolution | 3.15 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSQGERETWG
83 KKVDFLLSVI93 GYAVDLGNVW103 RFPYICAQNG113 GGAFLLPYTI123 MAIFGGIPLF 133 YMELALGQYH143 RNGCISIWRK153 ICPIFKGIGY163 AICIIAFYIA173 SYYNTIMAWA 183 LYYLISSFTD193 QLPWTSCKNS203 WNTGNCTNYF213 SEDNITWTLH223 STSPAEEFYT 233 RHVLQIHRSK243 GLQDLGGISW253 QLALCIMLIF263 TVIYFSIWKG273 VKTSGKVVWV 283 TATFPYIALS293 VLLVRGATLP303 GAWRGVLFYL313 KPNWQKLLET323 GVWIDAAAQI 333 FFSLGPGFGV343 LLAFASYNKF353 NNNCYQDALV363 TSVVNCMTSF373 VSGFVIFTVL 383 GYMAEMRNED393 VSEVAKDAGP403 SLLFITYAEA413 IANMPASTFF423 AIIFFLMLIT 433 LGLDSSFAGL443 EGVITAVLDE453 FPHVWAKRRE463 RFVLAVVITC473 FFGSLVTLTF 483 GGAYVVKLLE493 EYATGPAVLT503 VALIEAVAVS513 WFYGITQFCR523 DVKEMLGFSP 533 GWFWRICWVA543 ISPLFLLFII553 ASFLMSPPQL563 RLFQYNYPYW573 SIILGYAIGT 583 SSFICIPTYI593 AYRLIITPGT603 FKERIIKSIT613 PE
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TYR95
3.241
ALA96
2.873
VAL97
4.796
ASP98
3.007
ASN101
4.894
ALA169
4.107
ILE172
3.427
ALA173
3.646
TYR175
3.961
TYR176
4.155
PHE335
2.918
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Aminocaproic acid | Ligand Info | |||||
| Structure Description | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central and allosteric sites | PDB:5I73 | ||||
| Method | X-ray diffraction | Resolution | 3.24 Å | Mutation | Yes | [1] |
| PDB Sequence |
GERETWGKKV
86 DFLLSVIGYA96 VDLGNVWRFP106 YICAQNGGGA116 FLLPYTIMAI126 FGGIPLFYME 136 LALGQYHRNG146 CISIWRKICP156 IFKGIGYAIC166 IIAFYIASYY176 NTIMAWALYY 186 LISSFTDQLP196 WTSCKNSWNT206 GNCTNYFSED216 NITWTLHSTS226 PAEEFYTRHV 236 LQIHRSKGLQ246 DLGGISWQLA256 LCIMLIFTVI266 YFSIWKGVKT276 SGKVVWVTAT 286 FPYIALSVLL296 VRGATLPGAW306 RGVLFYLKPN316 WQKLLETGVW326 IDAAAQIFFS 336 LGPGFGVLLA346 FASYNKFNNN356 CYQDALVTSV366 VNCMTSFVSG376 FVIFTVLGYM 386 AEMRNEDVSE396 VAKDAGPSLL406 FITYAEAIAN416 MPASTFFAII426 FFLMLITLGL 436 DSSFAGLEGV446 ITAVLDEFPH456 VWAKRRERFV466 LAVVITCFFG476 SLVTLTFGGA 486 YVVKLLEEYA496 TGPAVLTVAL506 IEAVAVSWFY516 GITQFCRDVK526 EMLGFSPGWF 536 WRICWVAISP546 LFLLFIIASF556 LMSPPQLRLF566 QYNYPYWSII576 LGYAIGTSSF 586 ICIPTYIAYR596 LIITPGTFKE606 RIIKSITPET616
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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 .ACA or .ACA2 or .ACA3 or :3ACA;style chemicals stick;color identity;select .A:246 or .A:247 or .A:248 or .A:249; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Sertraline | Ligand Info | |||||
| Structure Description | X-ray structure of the ts3 human serotonin transporter complexed with sertraline at the central site | PDB:6AWO | ||||
| Method | X-ray diffraction | Resolution | 3.53 Å | Mutation | Yes | [2] |
| PDB Sequence |
GSQGERETWG
83 KKVDFLLSVI93 GYAVDLGNVW103 RFPYICAQNG113 GGAFLLPYTI123 MAIFGGIPLF 133 YMELALGQYH143 RNGCISIWRK153 ICPIFKGIGY163 AICIIAFYIA173 SYYNTIMAWA 183 LYYLISSFTD193 QLPWTSCKNS203 WNTGNCTNYF213 SEDNITWTLH223 STSPAEEFYT 233 RHVLQIHRSK243 GLQDLGGISW253 QLALCIMLIF263 TVIYFSIWKG273 VKTSGKVVWV 283 TATFPYIALS293 VLLVRGATLP303 GAWRGVLFYL313 KPNWQKLLET323 GVWIDAAAQI 333 FFSLGPGFGV343 LLAFASYNKF353 NNNCYQDALV363 TSVVNCMTSF373 VSGFVIFTVL 383 GYMAEMRNED393 VSEVAKDAGP403 SLLFITYAEA413 IANMPASTFF423 AIIFFLMLIT 433 LGLDSSFAGL443 EGVITAVLDE453 FPHVWAKRRE463 RFVLAVVITC473 FFGSLVTLTF 483 GGAYVVKLLE493 EYATGPAVLT503 VALIEAVAVS513 WFYGITQFCR523 DVKEMLGFSP 533 GWFWRICWVA543 ISPLFLLFII553 ASFLMSPPQL563 RLFQYNYPYW573 SIILGYAIGT 583 SSFICIPTYI593 AYRLIITPGT603 FKERIIKSIT613 PETP
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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 .SRE or .SRE2 or .SRE3 or :3SRE;style chemicals stick;color identity;select .A:95 or .A:96 or .A:98 or .A:169 or .A:172 or .A:173 or .A:175 or .A:176 or .A:335 or .A:336 or .A:337 or .A:338 or .A:341 or .A:438 or .A:439 or .A:442 or .A:443; color #f3c393; 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: Fluvoxamine | Ligand Info | |||||
| Structure Description | X-ray structure of the ts3 human serotonin transporter complexed with fluvoxamine at the central site | PDB:6AWP | ||||
| Method | X-ray diffraction | Resolution | 3.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
GSQGERETWG
83 KKVDFLLSVI93 GYAVDLGNVW103 RFPYICAQNG113 GGAFLLPYTI123 MAIFGGIPLF 133 YMELALGQYH143 RNGCISIWRK153 ICPIFKGIGY163 AICIIAFYIA173 SYYNTIMAWA 183 LYYLISSFTD193 QLPWTSCKNS203 WNTGNCTNYF213 SEDNITWTLH223 STSPAEEFYT 233 RHVLQIHRSK243 GLQDLGGISW253 QLALCIMLIF263 TVIYFSIWKG273 VKTSGKVVWV 283 TATFPYIALS293 VLLVRGATLP303 GAWRGVLFYL313 KPNWQKLLET323 GVWIDAAAQI 333 FFSLGPGFGV343 LLAFASYNKF353 NNNCYQDALV363 TSVVNCMTSF373 VSGFVIFTVL 383 GYMAEMRNED393 VSEVAKDAGP403 SLLFITYAEA413 IANMPASTFF423 AIIFFLMLIT 433 LGLDSSFAGL443 EGVITAVLDE453 FPHVWAKRRE463 RFVLAVVITC473 FFGSLVTLTF 483 GGAYVVKLLE493 EYATGPAVLT503 VALIEAVAVS513 WFYGITQFCR523 DVKEMLGFSP 533 GWFWRICWVA543 ISPLFLLFII553 ASFLMSPPQL563 RLFQYNYPYW573 SIILGYAIGT 583 SSFICIPTYI593 AYRLIITPGT603 FKERIIKSIT613 PETP
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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 .FVX or .FVX2 or .FVX3 or :3FVX;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:98 or .A:101 or .A:169 or .A:172 or .A:173 or .A:175 or .A:176 or .A:177 or .A:335 or .A:336 or .A:337 or .A:338 or .A:341 or .A:368 or .A:438 or .A:439 or .A:442 or .A:443 or .A:493 or .A:497 or .A:498; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR95
3.075
ALA96
2.249
VAL97
4.376
ASP98
2.965
ASN101
3.599
ALA169
4.353
ILE172
3.113
ALA173
3.724
TYR175
4.264
TYR176
4.251
ASN177
4.646
PHE335
3.039
|
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| Ligand Name: Imipramine | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the wild-type human serotonin transporter complexed with vilazodone, imipramine and 15B8 Fab | PDB:7LWD | ||||
| Method | Electron microscopy | Resolution | 3.65 Å | Mutation | No | [3] |
| PDB Sequence |
GERETWGKKV
86 DFLLSVIGYA96 VDLGNVWRFP106 YICYQNGGGA116 FLLPYTIMAI126 FGGIPLFYME 136 LALGQYHRNG146 CISIWRKICP156 IFKGIGYAIC166 IIAFYIASYY176 NTIMAWALYY 186 LISSFTDQLP196 WTSCKNSWNT206 GNCTNYFSED216 NITWTLHSTS226 PAEEFYTRHV 236 LQIHRSKGLQ246 DLGGISWQLA256 LCIMLIFTVI266 YFSIWKGVKT276 SGKVVWVTAT 286 FPYIILSVLL296 VRGATLPGAW306 RGVLFYLKPN316 WQKLLETGVW326 IDAAAQIFFS 336 LGPGFGVLLA346 FASYNKFNNN356 CYQDALVTSV366 VNCMTSFVSG376 FVIFTVLGYM 386 AEMRNEDVSE396 VAKDAGPSLL406 FITYAEAIAN416 MPASTFFAII426 FFLMLITLGL 436 DSTFAGLEGV446 ITAVLDEFPH456 VWAKRRERFV466 LAVVITCFFG476 SLVTLTFGGA 486 YVVKLLEEYA496 TGPAVLTVAL506 IEAVAVSWFY516 GITQFCRDVK526 EMLGFSPGWF 536 WRICWVAISP546 LFLLFIICSF556 LMSPPQLRLF566 QYNYPYWSII576 LGYCIGTSSF 586 ICIPTYIAYR596 LIITPGTFKE606 RIIKSITPET616 P
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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 .IXX or .IXX2 or .IXX3 or :3IXX;style chemicals stick;color identity;select .A:95 or .A:96 or .A:98 or .A:169 or .A:172 or .A:173 or .A:175 or .A:176 or .A:335 or .A:336 or .A:337 or .A:338 or .A:341 or .A:343 or .A:438 or .A:442 or .A:443 or .A:497; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: Vilazodone | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the wild-type human serotonin transporter complexed with vilazodone, imipramine and 15B8 Fab | PDB:7LWD | ||||
| Method | Electron microscopy | Resolution | 3.65 Å | Mutation | No | [3] |
| PDB Sequence |
GERETWGKKV
86 DFLLSVIGYA96 VDLGNVWRFP106 YICYQNGGGA116 FLLPYTIMAI126 FGGIPLFYME 136 LALGQYHRNG146 CISIWRKICP156 IFKGIGYAIC166 IIAFYIASYY176 NTIMAWALYY 186 LISSFTDQLP196 WTSCKNSWNT206 GNCTNYFSED216 NITWTLHSTS226 PAEEFYTRHV 236 LQIHRSKGLQ246 DLGGISWQLA256 LCIMLIFTVI266 YFSIWKGVKT276 SGKVVWVTAT 286 FPYIILSVLL296 VRGATLPGAW306 RGVLFYLKPN316 WQKLLETGVW326 IDAAAQIFFS 336 LGPGFGVLLA346 FASYNKFNNN356 CYQDALVTSV366 VNCMTSFVSG376 FVIFTVLGYM 386 AEMRNEDVSE396 VAKDAGPSLL406 FITYAEAIAN416 MPASTFFAII426 FFLMLITLGL 436 DSTFAGLEGV446 ITAVLDEFPH456 VWAKRRERFV466 LAVVITCFFG476 SLVTLTFGGA 486 YVVKLLEEYA496 TGPAVLTVAL506 IEAVAVSWFY516 GITQFCRDVK526 EMLGFSPGWF 536 WRICWVAISP546 LFLLFIICSF556 LMSPPQLRLF566 QYNYPYWSII576 LGYCIGTSSF 586 ICIPTYIAYR596 LIITPGTFKE606 RIIKSITPET616 P
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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 .YG7 or .YG72 or .YG73 or :3YG7;style chemicals stick;color identity;select .A:98 or .A:99 or .A:100 or .A:104 or .A:175 or .A:331 or .A:332 or .A:335 or .A:336 or .A:493 or .A:494 or .A:495 or .A:497 or .A:498 or .A:499 or .A:556 or .A:557 or .A:559 or .A:561 or .A:578 or .A:579 or .A:582 or .A:583; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASP98
3.628
LEU99
4.398
GLY100
3.258
ARG104
3.565
TYR175
4.927
ALA331
4.116
GLN332
3.358
PHE335
3.225
SER336
4.654
GLU493
4.989
GLU494
3.223
TYR495
4.194
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| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | X-ray structure of the ts3 human serotonin transporter complexed with paroxetine at the central site | PDB:5I6X | ||||
| Method | X-ray diffraction | Resolution | 3.14 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSQGERETWG
83 KKVDFLLSVI93 GYAVDLGNVW103 RFPYICAQNG113 GGAFLLPYTI123 MAIFGGIPLF 133 YMELALGQYH143 RNGCISIWRK153 ICPIFKGIGY163 AICIIAFYIA173 SYYNTIMAWA 183 LYYLISSFTD193 QLPWTSCKNS203 WNTGNCTNYF213 SEDNITWTLH223 STSPAEEFYT 233 RHVLQIHRSK243 GLQDLGGISW253 QLALCIMLIF263 TVIYFSIWKG273 VKTSGKVVWV 283 TATFPYIALS293 VLLVRGATLP303 GAWRGVLFYL313 KPNWQKLLET323 GVWIDAAAQI 333 FFSLGPGFGV343 LLAFASYNKF353 NNNCYQDALV363 TSVVNCMTSF373 VSGFVIFTVL 383 GYMAEMRNED393 VSEVAKDAGP403 SLLFITYAEA413 IANMPASTFF423 AIIFFLMLIT 433 LGLDSSFAGL443 EGVITAVLDE453 FPHVWAKRRE463 RFVLAVVITC473 FFGSLVTLTF 483 GGAYVVKLLE493 EYATGPAVLT503 VALIEAVAVS513 WFYGITQFCR523 DVKEMLGFSP 533 GWFWRICWVA543 ISPLFLLFII553 ASFLMSPPQL563 RLFQYNYPYW573 SIILGYAIGT 583 SSFICIPTYI593 AYRLIITPGT603 FKERIIKSIT613 PETP
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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 .CLR or .CLR2 or .CLR3 or :3CLR;style chemicals stick;color identity;select .A:572 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
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Tetradecane | Ligand Info | |||||
| Structure Description | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central and allosteric sites | PDB:5I73 | ||||
| Method | X-ray diffraction | Resolution | 3.24 Å | Mutation | Yes | [1] |
| PDB Sequence |
GERETWGKKV
86 DFLLSVIGYA96 VDLGNVWRFP106 YICAQNGGGA116 FLLPYTIMAI126 FGGIPLFYME 136 LALGQYHRNG146 CISIWRKICP156 IFKGIGYAIC166 IIAFYIASYY176 NTIMAWALYY 186 LISSFTDQLP196 WTSCKNSWNT206 GNCTNYFSED216 NITWTLHSTS226 PAEEFYTRHV 236 LQIHRSKGLQ246 DLGGISWQLA256 LCIMLIFTVI266 YFSIWKGVKT276 SGKVVWVTAT 286 FPYIALSVLL296 VRGATLPGAW306 RGVLFYLKPN316 WQKLLETGVW326 IDAAAQIFFS 336 LGPGFGVLLA346 FASYNKFNNN356 CYQDALVTSV366 VNCMTSFVSG376 FVIFTVLGYM 386 AEMRNEDVSE396 VAKDAGPSLL406 FITYAEAIAN416 MPASTFFAII426 FFLMLITLGL 436 DSSFAGLEGV446 ITAVLDEFPH456 VWAKRRERFV466 LAVVITCFFG476 SLVTLTFGGA 486 YVVKLLEEYA496 TGPAVLTVAL506 IEAVAVSWFY516 GITQFCRDVK526 EMLGFSPGWF 536 WRICWVAISP546 LFLLFIIASF556 LMSPPQLRLF566 QYNYPYWSII576 LGYAIGTSSF 586 ICIPTYIAYR596 LIITPGTFKE606 RIIKSITPET616
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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 .C14 or .C142 or .C143 or :3C14;style chemicals stick;color identity;select .A:503 or .A:557 or .A:576 or .A:579 or .A:580 or .A:583 or .A:586; 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: Ibogaine | Ligand Info | |||||
| Structure Description | Cryo-EM Structure of the wild-type human serotonin transporter in complex with ibogaine and 15B8 Fab in the inward conformation | PDB:6DZZ | ||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | No | [4] |
| PDB Sequence |
ERETWGKKVD
87 FLLSVIGYAV97 DLGNVWRFPY107 ICYQNGGGAF117 LLPYTIMAIF127 GGIPLFYMEL 137 ALGQYHRNGC147 ISIWRKICPI157 FKGIGYAICI167 IAFYIASYYN177 TIMAWALYYL 187 ISSFTDQLPW197 TSCKNSWNTG207 NCTNYFSEDN217 ITWTLHSTSP227 AEEFYTRHVL 237 QIHRSKGLQD247 LGGISWQLAL257 CIMLIFTVIY267 FSIWKGVKTS277 GKVVWVTATF 287 PYIILSVLLV297 RGATLPGAWR307 GVLFYLKPNW317 QKLLETGVWI327 DAAAQIFFSL 337 GPGFGVLLAF347 ASYNKFNNNC357 YQDALVTSVV367 NCMTSFVSGF377 VIFTVLGYMA 387 EMRNEDVSEV397 AKDAGPSLLF407 ITYAEAIANM417 PASTFFAIIF427 FLMLITLGLD 437 STFAGLEGVI447 TAVLDEFPHV457 WAKRRERFVL467 AVVITCFFGS477 LVTLTFGGAY 487 VVKLLEEYAT497 GPAVLTVALI507 EAVAVSWFYG517 ITQFCRDVKE527 MLGFSPGWFW 537 RICWVAISPL547 FLLFIICSFL557 MSPPQLRLFQ567 YNYPYWSIIL577 GYCIGTSSFI 587 CIPTYIAYRL597 IITPGTFKER607 IIKSITPETP617
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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 .HJM or .HJM2 or .HJM3 or :3HJM;style chemicals stick;color identity;select .A:98 or .A:169 or .A:172 or .A:173 or .A:176 or .A:177 or .A:334 or .A:335 or .A:336 or .A:338 or .A:341 or .A:343 or .A:438 or .A:439 or .A:442 or .A:443 or .A:446; color #f3c393; 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: Serotonin | Ligand Info | |||||
| Structure Description | 5-HT bound serotonin transporter reconstituted in lipid nanodisc in presence of NaCl in outward facing conformation | PDB:7LIA | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [5] |
| 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 .SRO or .SRO2 or .SRO3 or :3SRO;style chemicals stick;color identity;select .A:95 or .A:98 or .A:169 or .A:172 or .A:173 or .A:176 or .A:177 or .A:335 or .A:341 or .A:343 or .A:438 or .A:439 or .A:442 or .A:443 or .A:494 or .A:495 or .A:497 or .A:498 or .A:499 or .A:556 or .A:557 or .A:559 or .A:560 or .A:561 or .A:578 or .A:579 or .A:582; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: I-paroxetine | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the wild-type human serotonin transporter complexed with I-paroxetine and 8B6 Fab | PDB:6VRL | ||||
| Method | Electron microscopy | Resolution | 3.80 Å | Mutation | No | [6] |
| PDB Sequence |
GERETWGKKV
86 DFLLSVIGYA96 VDLGNVWRFP106 YICYQNGGGA116 FLLPYTIMAI126 FGGIPLFYME 136 LALGQYHRNG146 CISIWRKICP156 IFKGIGYAIC166 IIAFYIASYY176 NTIMAWALYY 186 LISSFTDQLP196 WTSCKNSWNT206 GNCTNYFSED216 NITWTLHSTS226 PAEEFYTRHV 236 LQIHRSKGLQ246 DLGGISWQLA256 LCIMLIFTVI266 YFSIWKGVKT276 SGKVVWVTAT 286 FPYIILSVLL296 VRGATLPGAW306 RGVLFYLKPN316 WQKLLETGVW326 IDAAAQIFFS 336 LGPGFGVLLA346 FASYNKFNNN356 CYQDALVTSV366 VNCMTSFVSG376 FVIFTVLGYM 386 AEMRNEDVSE396 VAKDAGPSLL406 FITYAEAIAN416 MPASTFFAII426 FFLMLITLGL 436 DSTFAGLEGV446 ITAVLDEFPH456 VWAKRRERFV466 LAVVITCFFG476 SLVTLTFGGA 486 YVVKLLEEYA496 TGPAVLTVAL506 IEAVAVSWFY516 GITQFCRDVK526 EMLGFSPGWF 536 WRICWVAISP546 LFLLFIICSF556 LMSPPQLRLF566 QYNYPYWSII576 LGYCIGTSSF 586 ICIPTYIAYR596 LIITPGTFKE606 RIIKSITPET616 P
|
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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 .RFY or .RFY2 or .RFY3 or :3RFY;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:98 or .A:168 or .A:169 or .A:172 or .A:173 or .A:176 or .A:335 or .A:336 or .A:337 or .A:338 or .A:341 or .A:438 or .A:439 or .A:442 or .A:443 or .A:497 or .A:501; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Br-paroxetine | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the wild-type human serotonin transporter complexed with Br-paroxetine and 8B6 Fab | PDB:6VRK | ||||
| Method | Electron microscopy | Resolution | 4.10 Å | Mutation | No | [6] |
| PDB Sequence |
GERETWGKKV
86 DFLLSVIGYA96 VDLGNVWRFP106 YICYQNGGGA116 FLLPYTIMAI126 FGGIPLFYME 136 LALGQYHRNG146 CISIWRKICP156 IFKGIGYAIC166 IIAFYIASYY176 NTIMAWALYY 186 LISSFTDQLP196 WTSCKNSWNT206 GNCTNYFSED216 NITWTLHSTS226 PAEEFYTRHV 236 LQIHRSKGLQ246 DLGGISWQLA256 LCIMLIFTVI266 YFSIWKGVKT276 SGKVVWVTAT 286 FPYIILSVLL296 VRGATLPGAW306 RGVLFYLKPN316 WQKLLETGVW326 IDAAAQIFFS 336 LGPGFGVLLA346 FASYNKFNNN356 CYQDALVTSV366 VNCMTSFVSG376 FVIFTVLGYM 386 AEMRNEDVSE396 VAKDAGPSLL406 FITYAEAIAN416 MPASTFFAII426 FFLMLITLGL 436 DSTFAGLEGV446 ITAVLDEFPH456 VWAKRRERFV466 LAVVITCFFG476 SLVTLTFGGA 486 YVVKLLEEYA496 TGPAVLTVAL506 IEAVAVSWFY516 GITQFCRDVK526 EMLGFSPGWF 536 WRICWVAISP546 LFLLFIICSF556 LMSPPQLRLF566 QYNYPYWSII576 LGYCIGTSSF 586 ICIPTYIAYR596 LIITPGTFKE606 RIIKSITPET616 P
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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 .RFS or .RFS2 or .RFS3 or :3RFS;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:98 or .A:169 or .A:172 or .A:173 or .A:176 or .A:335 or .A:336 or .A:337 or .A:338 or .A:341 or .A:438 or .A:439 or .A:442 or .A:443 or .A:446 or .A:497 or .A:498 or .A:501; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR95
2.465
ALA96
3.946
VAL97
4.172
ASP98
3.139
ALA169
3.288
ILE172
3.378
ALA173
3.273
TYR176
4.390
PHE335
3.296
SER336
3.818
LEU337
4.456
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: n-HEXANE | Ligand Info | |||||
| Structure Description | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site | PDB:5I71 | ||||
| Method | X-ray diffraction | Resolution | 3.15 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSQGERETWG
83 KKVDFLLSVI93 GYAVDLGNVW103 RFPYICAQNG113 GGAFLLPYTI123 MAIFGGIPLF 133 YMELALGQYH143 RNGCISIWRK153 ICPIFKGIGY163 AICIIAFYIA173 SYYNTIMAWA 183 LYYLISSFTD193 QLPWTSCKNS203 WNTGNCTNYF213 SEDNITWTLH223 STSPAEEFYT 233 RHVLQIHRSK243 GLQDLGGISW253 QLALCIMLIF263 TVIYFSIWKG273 VKTSGKVVWV 283 TATFPYIALS293 VLLVRGATLP303 GAWRGVLFYL313 KPNWQKLLET323 GVWIDAAAQI 333 FFSLGPGFGV343 LLAFASYNKF353 NNNCYQDALV363 TSVVNCMTSF373 VSGFVIFTVL 383 GYMAEMRNED393 VSEVAKDAGP403 SLLFITYAEA413 IANMPASTFF423 AIIFFLMLIT 433 LGLDSSFAGL443 EGVITAVLDE453 FPHVWAKRRE463 RFVLAVVITC473 FFGSLVTLTF 483 GGAYVVKLLE493 EYATGPAVLT503 VALIEAVAVS513 WFYGITQFCR523 DVKEMLGFSP 533 GWFWRICWVA543 ISPLFLLFII553 ASFLMSPPQL563 RLFQYNYPYW573 SIILGYAIGT 583 SSFICIPTYI593 AYRLIITPGT603 FKERIIKSIT613 PE
|
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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 .HEX or .HEX2 or .HEX3 or :3HEX;style chemicals stick;color identity;select .A:576 or .A:579 or .A:580 or .A:583; color #f3c393; 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: (1s)-1-(4-Bromophenyl)-1-[3-(Dimethylamino)propyl]-1,3-Dihydro-2-Benzofuran-5-Carbonitrile | Ligand Info | |||||
| Structure Description | X-ray structure of the ts3 human serotonin transporter complexed with Br-citalopram at the central site | PDB:5I74 | ||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSQGERETWG
83 KKVDFLLSVI93 GYAVDLGNVW103 RFPYICAQNG113 GGAFLLPYTI123 MAIFGGIPLF 133 YMELALGQYH143 RNGCISIWRK153 ICPIFKGIGY163 AICIIAFYIA173 SYYNTIMAWA 183 LYYLISSFTD193 QLPWTSCKNS203 WNTGNCTNYF213 SEDNITWTLH223 STSPAEEFYT 233 RHVLQIHRSK243 GLQDLGGISW253 QLALCIMLIF263 TVIYFSIWKG273 VKTSGKVVWV 283 TATFPYIALS293 VLLVRGATLP303 GAWRGVLFYL313 KPNWQKLLET323 GVWIDAAAQI 333 FFSLGPGFGV343 LLAFASYNKF353 NNNCYQDALV363 TSVVNCMTSF373 VSGFVIFTVL 383 GYMAEMRNED393 VSEVAKDAGP403 SLLFITYAEA413 IANMPASTFF423 AIIFFLMLIT 433 LGLDSSFAGL443 EGVITAVLDE453 FPHVWAKRRE463 RFVLAVVITC473 FFGSLVTLTF 483 GGAYVVKLLE493 EYATGPAVLT503 VALIEAVAVS513 WFYGITQFCR523 DVKEMLGFSP 533 GWFWRICWVA543 ISPLFLLFII553 ASFLMSPPQL563 RLFQYNYPYW573 SIILGYAIGT 583 SSFICIPTYI593 AYRLIITPGT603 FKERIIKSIT613 PE
|
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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 .69D or .69D2 or .69D3 or :369D;style chemicals stick;color identity;select .A:95 or .A:96 or .A:97 or .A:98 or .A:101 or .A:169 or .A:172 or .A:173 or .A:175 or .A:176 or .A:177 or .A:335 or .A:336 or .A:338 or .A:341 or .A:343 or .A:438 or .A:439 or .A:442 or .A:443 or .A:493 or .A:497 or .A:498 or .A:501; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR95
3.304
ALA96
3.183
VAL97
4.705
ASP98
3.420
ASN101
4.534
ALA169
4.791
ILE172
3.432
ALA173
3.544
TYR175
3.876
TYR176
3.953
ASN177
4.079
PHE335
3.008
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Decane | Ligand Info | |||||
| Structure Description | 5-HT bound serotonin transporter reconstituted in lipid nanodisc in presence of NaCl in outward facing conformation | PDB:7LIA | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [5] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D10 or .D102 or .D103 or :3D10;style chemicals stick;color identity;select .A:122 or .A:125 or .A:126 or .A:130 or .A:185 or .A:188 or .A:248 or .A:249 or .A:250 or .A:251 or .A:253 or .A:254 or .A:257 or .A:258 or .A:260 or .A:261 or .A:263 or .A:264 or .A:267 or .A:268 or .A:358 or .A:362 or .A:366 or .A:369 or .A:467 or .A:470 or .A:471 or .A:474 or .A:475 or .A:478 or .A:479 or .A:482 or .A:536 or .A:537 or .A:560 or .A:572 or .A:575 or .A:576 or .A:579 or .A:580 or .A:583; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR122
3.858
ALA125
4.784
ILE126
3.768
ILE130
4.906
TYR185
3.644
ILE188
3.737
LEU248
3.346
GLY249
4.208
GLY250
4.294
ILE251
4.010
TRP253
4.383
GLN254
3.822
LEU257
4.117
CYS258
4.331
MET260
4.233
LEU261
3.731
PHE263
3.821
THR264
3.703
TYR267
3.648
PHE268
4.678
TYR358
3.526
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Heptane | Ligand Info | |||||
| Structure Description | 5-HT bound serotonin transporter reconstituted in lipid nanodisc in presence of NaCl in outward facing conformation | PDB:7LIA | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [5] |
| 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
|
|||||
|
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:115 or .A:118 or .A:163 or .A:166 or .A:167 or .A:245 or .A:248 or .A:251 or .A:253 or .A:256 or .A:260 or .A:264 or .A:265 or .A:268 or .A:269 or .A:280 or .A:296 or .A:300 or .A:309 or .A:310 or .A:313 or .A:374 or .A:377 or .A:381 or .A:450 or .A:454 or .A:461 or .A:464 or .A:465 or .A:467 or .A:468 or .A:469 or .A:471 or .A:472 or .A:474 or .A:475 or .A:478 or .A:479 or .A:488 or .A:557 or .A:558 or .A:560 or .A:573 or .A:577 or .A:579 or .A:581 or .A:591 or .A:594 or .A:595 or .A:597 or .A:598 or .A:604 or .A:607; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Pentane | Ligand Info | |||||
| Structure Description | 5-HT bound serotonin transporter reconstituted in lipid nanodisc in presence of NaCl in outward facing conformation | PDB:7LIA | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [5] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LNK or .LNK2 or .LNK3 or :3LNK;style chemicals stick;color identity;select .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
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Hexadecane | Ligand Info | |||||
| Structure Description | apo SERT reconstituted in lipid nanodisc in KCl | PDB:7LI6 | ||||
| Method | Electron microscopy | Resolution | 3.50 Å | Mutation | No | [5] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R16 or .R162 or .R163 or :3R16;style chemicals stick;color identity;select .A:122 or .A:126 or .A:130 or .A:358 or .A:362 or .A:366 or .A:369 or .A:370 or .A:534 or .A:535 or .A:536 or .A:537; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cholesterol hemisuccinate | Ligand Info | |||||
| Structure Description | Wild type human serotonin transporter in complex with 15B8 Fab bound to ibogaine in occluded conformation | PDB:6DZV | ||||
| Method | Electron microscopy | Resolution | 4.20 Å | Mutation | No | [4] |
| 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 .Y01 or .Y012 or .Y013 or :3Y01;style chemicals stick;color identity;select .A:85 or .A:86 or .A:89 or .A:90 or .A:93 or .A:286 or .A:289 or .A:359 or .A:367 or .A:370; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | X-ray structures and mechanism of the human serotonin transporter. Nature. 2016 Apr 21;532(7599):334-9. | ||||
| REF 2 | Structural basis for recognition of diverse antidepressants by the human serotonin transporter. Nat Struct Mol Biol. 2018 Feb;25(2):170-175. | ||||
| REF 3 | The antidepressant drug vilazodone is an allosteric inhibitor of the serotonin transporter. Nat Commun. 2021 Aug 20;12(1):5063. | ||||
| REF 4 | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport. Nature. 2019 May;569(7754):141-145. | ||||
| REF 5 | Illumination of serotonin transporter mechanism and role of the allosteric site. Sci Adv. 2021 Dec 3;7(49):eabl3857. | ||||
| REF 6 | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife. 2020 Jul 3;9:e56427. | ||||
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