Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T33969 | Target Info | |||
| Target Name | ATP-binding cassette transporter B11 (ABCB11) | ||||
| Synonyms | BSEP; ATP-binding cassette, sub-family B, member 11; ATP-binding cassette sub-family B member 11 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | ABCB11 | ||||
| Biochemical Class | ABC transporter | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Taurocholic acid | Ligand Info | |||
| Canonical SMILES | CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C | ||||
| InChI | 1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 | ||||
| InChIKey | WBWWGRHZICKQGZ-HZAMXZRMSA-N | ||||
| PubChem Compound ID | 6675 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7E1A Human bile salt exporter ABCB11 in complex with taurocholate | ||||||
| Method | Electron microscopy | Resolution | 3.66 Å | Mutation | No | [1] |
| PDB Sequence |
GFFQLFRFSS
55 STDIWLMFVG65 SLCAFLHGIA75 QPGVLLIFGT85 MTDVFIDYDV95 ELQELQIPGK 105 ACVNNTIVWT115 NSSLNQNMTN125 GTRCGLLNIE135 SEMIKFASYY145 AGIAVAVLIT 155 GYIQICFWVI165 AAARQIQKMR175 KFYFRRIMRM185 EIGWFDCNSV195 GELNTRFSDD 205 INKINDAIAD215 QMALFIQRMT225 STICGFLLGF235 FRGWKLTLVI245 ISVSPLIGIG 255 AATIGLSVSK265 FTDYELKAYA275 KAGVVADEVI285 SSMRTVAAFG295 GEKREVERYE 305 KNLVFAQRWG315 IRKGIVMGFF325 TGFVWCLIFL335 CYALAFWYGS345 TLVLDEGEYT 355 PGTLVQIFLS365 VIVGALNLGN375 ASPCLEAFAT385 GRAAATSIFE395 TIDRKPIIDC 405 MSEDGYKLDR415 IKGEIEFHNV425 TFHYPSRPEV435 KILNDLNMVI445 KPGEMTALVG 455 PSGAGKSTAL465 QLIQRFYDPC475 EGMVTVDGHD485 IRSLNIQWLR495 DQIGIVEQEP 505 VLFSTTIAEN515 IRYGREDATM525 EDIVQAAKEA535 NAYNFIMDLP545 QQFDTLVGEG 555 GGQMSGGQKQ565 RVAIARALIR575 NPKILLLDMA585 TSALDNESEA595 MVQEVLSKIQ 605 HGHTIISVAH615 RLSTVRAADT625 IIGFEHGTAV635 ERGTHEELLE645 RKGVYFTLVT 655 LQSQVRRILK746 FSAPEWPYML756 VGSVGAAVNG766 TVTPLYAFLF776 SQILGTFSIP 786 DKEEQRSQIN796 GVCLLFVAMG806 CVSLFTQFLQ816 GYAFAKSGEL826 LTKRLRKFGF 836 RAMLGQDIAW846 FDDLRNSPGA856 LTTRLATDAS866 QVQGAAGSQI876 GMIVNSFTNV 886 TVAMIIAFSF896 SWKLSLVILC906 FFPFLALSGA916 TQTRMLTGFA926 SRDKQALEMV 936 GQITNEALSN946 IRTVAGIGKE956 RRFIEALETE966 LEKPFKTAIQ976 KANIYGFCFA 986 FAQCIMFIAN996 SASYRYGGYL1006 ISNEGLHFSY1016 VFRVISAVVL1026 SATALGRAFS 1036 YTPSYAKAKI1046 SAARFFQLLD1056 RQPPISVYNT1066 AGEKWDNFQG1076 KIDFVDCKFT 1086 YPSRPDSQVL1096 NGLSVSISPG1106 QTLAFVGSSG1116 CGKSTSIQLL1126 ERFYDPDQGK 1136 VMIDGHDSKK1146 VNVQFLRSNI1156 GIVSQEPVLF1166 ACSIMDNIKY1176 GDNTKEIPME 1186 RVIAAAKQAQ1196 LHDFVMSLPE1206 KYETNVGSQG1216 SQLSRGEKQR1226 IAIARAIVRD 1236 PKILLLDEAT1246 SALDTESEKT1256 VQVALDKARE1266 GRTCIVIAHR1276 LSTIQNADII 1286 AVMAQGVVIE1296 KGTHEELMAQ1306 KGAYYKLVT
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| PDB ID: 7DV5 Human bile salt exporter ABCB11 in complex with taurocholate | ||||||
| Method | Electron microscopy | Resolution | 3.70 Å | Mutation | No | [1] |
| PDB Sequence |
GFFQLFRFSS
55 STDIWLMFVG65 SLCAFLHGIA75 QPGVLLIFGT85 MTDVFIDYDV95 ELQELQIPGK 105 ACVNNTIVWT115 NSSLNQNMTN125 GTRCGLLNIE135 SEMIKFASYY145 AGIAVAVLIT 155 GYIQICFWVI165 AAARQIQKMR175 KFYFRRIMRM185 EIGWFDCNSV195 GELNTRFSDD 205 INKINDAIAD215 QMALFIQRMT225 STICGFLLGF235 FRGWKLTLVI245 ISVSPLIGIG 255 AATIGLSVSK265 FTDYELKAYA275 KAGVVADEVI285 SSMRTVAAFG295 GEKREVERYE 305 KNLVFAQRWG315 IRKGIVMGFF325 TGFVWCLIFL335 CYALAFWYGS345 TLVLDEGEYT 355 PGTLVQIFLS365 VIVGALNLGN375 ASPCLEAFAT385 GRAAATSIFE395 TIDRKPIIDC 405 MSEDGYKLDR415 IKGEIEFHNV425 TFHYPSRPEV435 KILNDLNMVI445 KPGEMTALVG 455 PSGAGKSTAL465 QLIQRFYDPC475 EGMVTVDGHD485 IRSLNIQWLR495 DQIGIVEQEP 505 VLFSTTIAEN515 IRYGREDATM525 EDIVQAAKEA535 NAYNFIMDLP545 QQFDTLVGEG 555 GGQMSGGQKQ565 RVAIARALIR575 NPKILLLDMA585 TSALDNESEA595 MVQEVLSKIQ 605 HGHTIISVAH615 RLSTVRAADT625 IIGFEHGTAV635 ERGTHEELLE645 RKGVYFTLVT 655 LQSQVRRILK746 FSAPEWPYML756 VGSVGAAVNG766 TVTPLYAFLF776 SQILGTFSIP 786 DKEEQRSQIN796 GVCLLFVAMG806 CVSLFTQFLQ816 GYAFAKSGEL826 LTKRLRKFGF 836 RAMLGQDIAW846 FDDLRNSPGA856 LTTRLATDAS866 QVQGAAGSQI876 GMIVNSFTNV 886 TVAMIIAFSF896 SWKLSLVILC906 FFPFLALSGA916 TQTRMLTGFA926 SRDKQALEMV 936 GQITNEALSN946 IRTVAGIGKE956 RRFIEALETE966 LEKPFKTAIQ976 KANIYGFCFA 986 FAQCIMFIAN996 SASYRYGGYL1006 ISNEGLHFSY1016 VFRVISAVVL1026 SATALGRAFS 1036 YTPSYAKAKI1046 SAARFFQLLD1056 RQPPISVYNT1066 AGEKWDNFQG1076 KIDFVDCKFT 1086 YPSRPDSQVL1096 NGLSVSISPG1106 QTLAFVGSSG1116 CGKSTSIQLL1126 ERFYDPDQGK 1136 VMIDGHDSKK1146 VNVQFLRSNI1156 GIVSQEPVLF1166 ACSIMDNIKY1176 GDNTKEIPME 1186 RVIAAAKQAQ1196 LHDFVMSLPE1206 KYETNVGSQG1216 SQLSRGEKQR1226 IAIARAIVRD 1236 PKILLLDEAT1246 SALDTESEKT1256 VQVALDKARE1266 GRTCIVIAHR1276 LSTIQNADII 1286 AVMAQGVVIE1296 KGTHEELMAQ1306 KGAYYKLVT
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GLN76
4.292
VAL79
3.990
LEU80
4.519
PHE83
4.018
TYR145
2.485
LEU219
4.291
GLN222
4.036
ARG223
2.907
ALA256
4.818
ILE259
3.391
THR326
4.061
VAL329
4.625
TRP330
3.016
ILE333
3.258
PHE334
3.746
TYR337
4.317
LEU364
3.542
ILE367
4.086
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structures of human bile acid exporter ABCB11 reveal a transport mechanism facilitated by two tandem substrate-binding pockets. Cell Res. 2022 May;32(5):501-504. | ||||
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