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 | Adenosine triphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 5957 | ||||
| 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: 7OZ1 Cryo-EM structure of ABCG1 E242Q mutant with ATP and cholesteryl hemisuccinate bound | ||||||
| Method | Electron microscopy | Resolution | 4.00 Å | Mutation | Yes | [2] |
| 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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| PDB ID: 7R8E The structure of human ABCG1 E242Q complexed with ATP | ||||||
| Method | Electron microscopy | Resolution | 3.70 Å | Mutation | Yes | [3] |
| 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 | Structure of the Human Cholesterol Transporter ABCG1. J Mol Biol. 2021 Oct 15;433(21):167218. | ||||
| REF 3 | 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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