Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cholesterol | Ligand Info | |||
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | ||||
| InChI | 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | ||||
| InChIKey | HVYWMOMLDIMFJA-DPAQBDIFSA-N | ||||
| PubChem Compound ID | 5997 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7FDV Cryo-EM structure of the human cholesterol transporter ABCG1 in complex with cholesterol | ||||||
| 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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| PDB ID: 7R8D The structure of human ABCG1 E242Q with cholesterol | ||||||
| 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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| PDB ID: 7R8E The structure of human ABCG1 E242Q complexed with ATP | ||||||
| Method | Electron microscopy | Resolution | 3.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
RAAVNIEFRD
81 LSYSVPEKTL100 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 VRAVREGSAS388 CLTQFCILFK398 RTFLSIMRDS408 VLTHLRITSH418 IGIGLLIGLL 428 YLGIGNEAKK438 VLSNSGFLFF448 SMLFLMFAAL458 MPTVLTFPLE468 MGVFLREHLN 478 YWYSLKAYYL488 AKTMADVPFQ498 IMFPVAYCSI508 VYWMTSQPSD518 AVRFVLFAAL 528 GTMTSLVAQS538 LGLLIGAAST548 SLQVATFVGP558 VTAIPVLLFS568 GFFVSFDTIP 578 TYLQWMSYIS588 YVRYGFEGVI598 LSIYGLDRED608 LHCDIDETCH618 FQKSEAILRE 628 LDVENAKLYL638 DFIVLGIFFI648 SLRLIAYFVL658 RYKIRAER
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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. | ||||
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