Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T14200 | Target Info | |||
| Target Name | ATP-binding cassette transporter G5 (ABCG5) | ||||
| Synonyms | Sterolin1; ATPbinding cassette subfamily G member 5; ABCG5 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | ABCG5 | ||||
| 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: 8CUB Crystal Structure of ABCG5/G8 in Complex with Cholesterol | ||||||
| Method | X-ray diffraction | Resolution | 4.05 Å | Mutation | No | [1] |
| PDB Sequence |
EPHSLGILHA
43 SYSVSTRQIL69 KDVSLYVESG79 QIMCILGSSG89 SGKTTLLDAM99 SGRLGRAGTF 109 LGEVYVNGRA119 LRREQFQDCF129 SYVLQSDTLL139 SSLTVRETLH149 YTALLAIRRG 159 NPGSFQKKVE169 AVMAELSLSH179 VADRLIGNYS189 LGGISTGERR199 RVSIAAQLLQ 209 DPKVMLFDEP219 TTGLDCMTAN229 QIVVLLVELA239 RRNRIVVLTI249 HQPRSELFQL 259 FDKIAILSFG269 ELIFCGTPAE279 MLDFFNDCGY289 PCPEHSNPFD299 FYMDLTSVDT 309 QSKEREIETS319 KRVQMIESAY329 KKSAICHKTL339 KNIERMKHLK349 TLPMVPFKTK 359 DSPGVFSKLG369 VLLRRVTRNL379 VRNKLAVITR389 LLQNLIMGLF399 LLFFVLRVRS 409 NVLKGAIQDR419 VGLLYQFVGA429 TPYTGMLNAV439 NLFPVLRAVS449 DQESQDGLYQ 459 KWQMMLAYAL469 HVLPFSVVAT479 MIFSSVCYWT489 LGLHPEVARF499 GYFSAALLAP 509 HLIGEFLTLV519 LLGIVQNPNI529 VNSVVALLSI539 AGVLVGSGFL549 RNIQEMPIPF 559 KIISYFTFQK569 YCSEILVVNE579 FYGLNFTCMC600 AFTQGIQFIE610 KTCPGATSRF 620 TMNFLILYSF630 IPALVILGIV640 VFKIRDHL
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| PDB ID: 7R8A The structure of human ABCG5/ABCG8 purified from mammalian cells | ||||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | No | [2] |
| PDB Sequence |
PHSLGILHAS
44 YSRQILKDVS73 LYVESGQIMC83 ILGSSGSGKT93 TLLDAMSGRG107 TFLGEVYVNG 117 RALRREQFQD127 CFSYVLQSDT137 LLSSLTVRET147 LHYTALLAIR157 RGNPGSFQKK 167 VEAVMAELSL177 SHVADRLIGN187 YSLGGISTGE197 RRRVSIAAQL207 LQDPKVMLFD 217 EPTTGLDCMT227 ANQIVVLLVE237 LARRNRIVVL247 TIHQPRSELF257 QLFDKIAILS 267 FGELIFCGTP277 AEMLDFFNDC287 GYPCPEHSNP297 FDFYMDLTSV307 DTQSKEREIE 317 TSKRVQMIES327 AYKKSAICHK337 TLKNIERMKH347 LKTLPMVPFK357 TKDSPGVFSK 367 LGVLLRRVTR377 NLVRNKLAVI387 TRLLQNLIMG397 LFLLFFVLRV407 RSNVLKGAIQ 417 DRVGLLYQFV427 GATPYTGMLN437 AVNLFPVLRA447 VSDQESQDGL457 YQKWQMMLAY 467 ALHVLPFSVV477 ATMIFSSVCY487 WTLGLHPEVA497 RFGYFSAALL507 APHLIGEFLT 517 LVLLGIVQNP527 NIVNSVVALL537 SIAGVLVGSG547 FLRNIQEMPI557 PFKIISYFTF 567 QKYCSEILVV577 NEFYGLNFTC587 GNPMCAFTQG605 IQFIEKTCPG615 ATSRFTMNFL 625 ILYSFIPALV635 ILGIVVFKIR645 DHLI
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| PDB ID: 7R8B The structure of human ABCG5/ABCG8 supplemented with cholesterol | ||||||
| Method | Electron microscopy | Resolution | 3.10 Å | Mutation | No | [2] |
| PDB Sequence |
PHSLGILHAS
44 YSVRQILKDV72 SLYVESGQIM82 CILGSSGSGK92 TTLLDAMSGR102 LGRAGTFLGE 112 VYVNGRALRR122 EQFQDCFSYV132 LQSDTLLSSL142 TVRETLHYTA152 LLAIRRGNPG 162 SFQKKVEAVM172 AELSLSHVAD182 RLIGNYSLGG192 ISTGERRRVS202 IAAQLLQDPK 212 VMLFDEPTTG222 LDCMTANQIV232 VLLVELARRN242 RIVVLTIHQP252 RSELFQLFDK 262 IAILSFGELI272 FCGTPAEMLD282 FFNDCGYPCP292 EHSNPFDFYM302 DLTSVDTQSK 312 EREIETSKRV322 QMIESAYKKS332 AICHKTLKNI342 ERMKHLKTLP352 MVPFKTKDSP 362 GVFSKLGVLL372 RRVTRNLVRN382 KLAVITRLLQ392 NLIMGLFLLF402 FVLRVRSNVL 412 KGAIQDRVGL422 LYQFVGATPY432 TGMLNAVNLF442 PVLRAVSDQE452 SQDGLYQKWQ 462 MMLAYALHVL472 PFSVVATMIF482 SSVCYWTLGL492 HPEVARFGYF502 SAALLAPHLI 512 GEFLTLVLLG522 IVQNPNIVNS532 VVALLSIAGV542 LVGSGFLRNI552 QEMPIPFKII 562 SYFTFQKYCS572 EILVVNEFYG582 LNFTCGNPMC600 FTQGIQFIEK611 TCPGATSRFT 621 MNFLILYSFI631 PALVILGIVV641 FKIRDHLI
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural Analysis of Cholesterol Binding and Sterol Selectivity by ABCG5/G8. J Mol Biol. 2022 Oct 30;434(20):167795. | ||||
| 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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