Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T47098 | Target Info | |||
| Target Name | ATP-binding cassette transporter G1 (ABCG1) | ||||
| Synonyms | White protein homolog; WHT1; ATP-binding cassette transporter 8; ATP-binding cassette sub-family G member 1; ABC8 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | ABCG1 | ||||
| Biochemical Class | ABC transporter | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human cholesterol transporter ABCG1 in complex with cholesterol | PDB:7FDV | ||||
| Method | Electron microscopy | Resolution | 3.26 Å | Mutation | No | [1] |
| PDB Sequence |
RAAVNIEFRD
81 LSYSVPGYKT99 LLKGISGKFN109 SGELVAIMGP119 SGAGKSTLMN129 ILAGYRETGM 139 KGAVLINGLP149 RDLRCFRKVS159 CYIMQDDMLL169 PHLTVQEAMM179 VSAHLKLQEK 189 DEGRREMVKE199 ILTALGLLSC209 ANTRTGSLSG219 GQRKRLAIAL229 ELVNNPPVMF 239 FDQPTSGLDS249 ASCFQVVSLM259 KGLAQGGRSI269 ICTIHQPSAK279 LFELFDQLYV 289 LSQGQCVYRG299 KVCNLVPYLR309 DLGLNCPTYH319 NPADFVMEVA329 SGEYCLTQFC 406 ILFKRTFLSI416 MRDSVLTHLR426 ITSHIGIGLL436 IGLLYLGIGN446 EAKKVLSNSG 456 FLFFSMLFLM466 FAALMPTVLT476 FPLEMGVFLR486 EHLNYWYSLK496 AYYLAKTMAD 506 VPFQIMFPVA516 YCSIVYWMTS526 QPSDAVRFVL536 FAALGTMTSL546 VAQSLGLLIG 556 AASTSLQVAT566 FVGPVTAIPV576 LLFSGFFVSF586 DTIPTYLQWM596 SYISYVRYGF 606 EGVILSIYGL616 DREDLHCDID626 ETCHFQKSEA636 ILRELDVENA646 KLYLDFIVLG 656 IFFISLRLIA666 YFVLRYKIR
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | The structure of human ABCG1 E242Q with cholesterol | PDB:7R8D | ||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | Yes | [2] |
| PDB Sequence |
RAAVNIEFRD
81 LSYSVLLKGI104 SGKFNSGELV114 AIMGPSGAGK124 STLMNILAGY134 RETGMKGAVL 144 INGLPRDLRC154 FRKVSCYIMQ164 DDMLLPHLTV174 QEAMMVSAHL184 KLQEKDEGRR 194 EMVKEILTAL204 GLLSCANTRT214 GSLSGGQRKR224 LAIALELVNN234 PPVMFFDQPT 244 SGLDSASCFQ254 VVSLMKGLAQ264 GGRSIICTIH274 QPSAKLFELF284 DQLYVLSQGQ 294 CVYRGKVCNL304 VPYLRDLGLN314 CPTYHNPADF324 VMEVASGEYG334 DQNSRLVRAV 344 REGFSASCLT391 QFCILFKRTF401 LSIMRDSVLT411 HLRITSHIGI421 GLLIGLLYLG 431 IGNEAKKVLS441 NSGFLFFSML451 FLMFAALMPT461 VLTFPLEMGV471 FLREHLNYWY 481 SLKAYYLAKT491 MADVPFQIMF501 PVAYCSIVYW511 MTSQPSDAVR521 FVLFAALGTM 531 TSLVAQSLGL541 LIGAASTSLQ551 VATFVGPVTA561 IPVLLFSGFF571 VSFDTIPTYL 581 QWMSYISYVR591 YGFEGVILSI601 YGLDREDLHC611 DIDETCHFQK621 SEAILRELDV 631 ENAKLYLDFI641 VLGIFFISLR651 LIAYFVLRYK661 IRAER
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[2-[[[[(2S,3R)-2-(Hexadecanoylamino)-3-hydroxy-4-octadecenyl]oxy]hydroxyphosphinyl]oxy]ethyl]trimethylaminium | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human cholesterol transporter ABCG1 in complex with cholesterol | PDB:7FDV | ||||
| Method | Electron microscopy | Resolution | 3.26 Å | Mutation | No | [1] |
| PDB Sequence |
RAAVNIEFRD
81 LSYSVPGYKT99 LLKGISGKFN109 SGELVAIMGP119 SGAGKSTLMN129 ILAGYRETGM 139 KGAVLINGLP149 RDLRCFRKVS159 CYIMQDDMLL169 PHLTVQEAMM179 VSAHLKLQEK 189 DEGRREMVKE199 ILTALGLLSC209 ANTRTGSLSG219 GQRKRLAIAL229 ELVNNPPVMF 239 FDQPTSGLDS249 ASCFQVVSLM259 KGLAQGGRSI269 ICTIHQPSAK279 LFELFDQLYV 289 LSQGQCVYRG299 KVCNLVPYLR309 DLGLNCPTYH319 NPADFVMEVA329 SGEYCLTQFC 406 ILFKRTFLSI416 MRDSVLTHLR426 ITSHIGIGLL436 IGLLYLGIGN446 EAKKVLSNSG 456 FLFFSMLFLM466 FAALMPTVLT476 FPLEMGVFLR486 EHLNYWYSLK496 AYYLAKTMAD 506 VPFQIMFPVA516 YCSIVYWMTS526 QPSDAVRFVL536 FAALGTMTSL546 VAQSLGLLIG 556 AASTSLQVAT566 FVGPVTAIPV576 LLFSGFFVSF586 DTIPTYLQWM596 SYISYVRYGF 606 EGVILSIYGL616 DREDLHCDID626 ETCHFQKSEA636 ILRELDVENA646 KLYLDFIVLG 656 IFFISLRLIA666 YFVLRYKIR
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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 .HWP or .HWP2 or .HWP3 or :3HWP;style chemicals stick;color identity;select .A:171 or .A:418 or .A:420 or .A:421 or .A:424 or .A:425 or .A:429 or .A:460 or .A:463 or .A:464 or .A:467 or .A:468 or .A:471 or .A:472 or .A:475 or .A:476; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine | Ligand Info | |||||
| Structure Description | Cryo-EM structure of ABCG1 E242Q mutant with ATP and cholesteryl hemisuccinate bound | PDB:7OZ1 | ||||
| Method | Electron microscopy | Resolution | 4.00 Å | Mutation | Yes | [3] |
| PDB Sequence |
AVNIEFRDLS
83 YSVPEGYKTL100 LKGISGKFNS110 GELVAIMGPS120 GAGKSTLMNI130 LAGYRETGMK 140 GAVLINGLPR150 DLRCFRKVSC160 YIMQDDMLLP170 HLTVQEAMMV180 SAHLKLQEKD 190 EGRREMVKEI200 LTALGLLSCA210 NTRTGSLSGG220 QRKRLAIALE230 LVNNPPVMFF 240 DQPTSGLDSA250 SCFQVVSLMK260 GLAQGGRSII270 CTIHQPSAKL280 FELFDQLYVL 290 SQGQCVYRGK300 VCNLVPYLRD310 LGLNCPTYHN320 PADFVMEVAS330 GEYGDQNSRL 340 VRAVRSASCL390 TQFCILFKRT400 FLSIMRDSVL410 THLRITSHIG420 IGLLIGLLYL 430 GIGNEAKKVL440 SNSGFLFFSM450 LFLMFAALMP460 TVLTFPLEMG470 VFLREHLNYW 480 YSLKAYYLAK490 TMADVPFQIM500 FPVAYCSIVY510 WMTSQPSDAV520 RFVLFAALGT 530 MTSLVAQSLG540 LLIGAASTSL550 QVATFVGPVT560 AIPVLLFSGF570 FVSFDTIPTY 580 LQWMSYISYV590 RYGFEGVILS600 IYGLDREDLH610 CDIDETCHFQ620 KSEAILRELD 630 VENAKLYLDF640 IVLGIFFISL650 RLIAYFVLRY660 KIRA
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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 .PEE or .PEE2 or .PEE3 or :3PEE;style chemicals stick;color identity;select .A:539 or .A:542 or .A:543 or .A:546 or .A:547 or .A:548 or .A:549 or .A:552 or .A:553 or .A:555 or .A:556 or .A:559 or .A:560 or .A:563 or .A:567 or .A:583 or .A:584; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cholesterol hemisuccinate | Ligand Info | |||||
| Structure Description | Cryo-EM structure of ABCG1 E242Q mutant with ATP and cholesteryl hemisuccinate bound | PDB:7OZ1 | ||||
| Method | Electron microscopy | Resolution | 4.00 Å | Mutation | Yes | [3] |
| PDB Sequence |
AVNIEFRDLS
83 YSVPEGYKTL100 LKGISGKFNS110 GELVAIMGPS120 GAGKSTLMNI130 LAGYRETGMK 140 GAVLINGLPR150 DLRCFRKVSC160 YIMQDDMLLP170 HLTVQEAMMV180 SAHLKLQEKD 190 EGRREMVKEI200 LTALGLLSCA210 NTRTGSLSGG220 QRKRLAIALE230 LVNNPPVMFF 240 DQPTSGLDSA250 SCFQVVSLMK260 GLAQGGRSII270 CTIHQPSAKL280 FELFDQLYVL 290 SQGQCVYRGK300 VCNLVPYLRD310 LGLNCPTYHN320 PADFVMEVAS330 GEYGDQNSRL 340 VRAVRSASCL390 TQFCILFKRT400 FLSIMRDSVL410 THLRITSHIG420 IGLLIGLLYL 430 GIGNEAKKVL440 SNSGFLFFSM450 LFLMFAALMP460 TVLTFPLEMG470 VFLREHLNYW 480 YSLKAYYLAK490 TMADVPFQIM500 FPVAYCSIVY510 WMTSQPSDAV520 RFVLFAALGT 530 MTSLVAQSLG540 LLIGAASTSL550 QVATFVGPVT560 AIPVLLFSGF570 FVSFDTIPTY 580 LQWMSYISYV590 RYGFEGVILS600 IYGLDREDLH610 CDIDETCHFQ620 KSEAILRELD 630 VENAKLYLDF640 IVLGIFFISL650 RLIAYFVLRY660 KIRA
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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 .Y01 or .Y012 or .Y013 or :3Y01;style chemicals stick;color identity;select .A:451 or .A:455 or .A:484 or .A:487 or .A:488 or .A:491 or .A:492 or .A:495 or .A:551 or .A:554 or .A:555 or .A:558 or .A:559 or .A:561 or .A:562 or .A:565 or .A:583 or .A:586 or .A:587 or .A:592 or .A:638 or .A:642 or .A:645 or .A:646 or .A:647 or .A:648 or .A:649 or .A:650 or .A:651 or .A:652 or .A:653 or .A:655 or .A:659; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU451
4.852
PHE455
2.789
LYS484
4.540
TYR487
3.503
LEU488
3.572
THR491
4.114
MET492
3.442
VAL495
4.710
GLN551
3.297
THR554
3.134
PHE555
3.090
PRO558
2.932
VAL559
3.387
ALA561
2.813
ILE562
3.649
LEU565
4.587
TRP583
3.369
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure and transport mechanism of the human cholesterol transporter ABCG1. Cell Rep. 2022 Jan 25;38(4):110298. | ||||
| REF 2 | Molecular basis of cholesterol efflux via ABCG subfamily transporters. Proc Natl Acad Sci U S A. 2021 Aug 24;118(34):e2110483118. | ||||
| REF 3 | Structure of the Human Cholesterol Transporter ABCG1. J Mol Biol. 2021 Oct 15;433(21):167218. | ||||
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