Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T49327 | Target Info | |||
| Target Name | ATP-binding cassette transporter A4 (ABCA4) | ||||
| Synonyms | Stargardt disease protein; RmP; Retinal-specific ATP-binding cassette transporter; RIM protein; RIM ABC transporter; ATP-binding cassette sub-family A member 4; ABCA4 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | ABCA4 | ||||
| Biochemical Class | ABC transporter | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | [(2S)-3-[2-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate | Ligand Info | |||
| Canonical SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN=CC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C)OC(=O)CCCCCCCC=CCCCCCCCC | ||||
| InChI | 1S/C61H104NO8P/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43-59(63)67-52-57(70-60(64)44-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)53-69-71(65,66)68-51-50-62-49-47-55(4)41-38-40-54(3)45-46-58-56(5)42-39-48-61(58,6)7/h22-25,38,40-41,45-47,49,57H,8-21,26-37,39,42-44,48,50-53H2,1-7H3,(H,65,66)/b24-22-,25-23-,41-38+,46-45+,54-40+,55-47+,62-49?/t57-/m0/s1 | ||||
| InChIKey | DCJYQTYECYRVQM-RJZBNVCZSA-N | ||||
| PubChem Compound ID | 156022741 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7M1Q Human ABCA4 structure in complex with N-ret-PE | ||||||
| Method | Electron microscopy | Resolution | 2.92 Å | Mutation | No | [1] |
| PDB Sequence |
FVRQIQLLLW
12 KNWTLRKRQK22 IRFVVELVWP32 LSLFLVLIWL42 RNANPLYSHH52 ECHFPNKAMP 62 SAGMLPWLQG72 IFCNVNNPCF82 QSPTPGESPG92 IVSNYNNSIL102 ARVYRDFQEL 112 LMNAPESQHL122 GRIWTELHIL132 SQFMDTLRTH142 PERIAGRGIR152 IRDILKDEET 162 LTLFLIKNIG172 LSDSVVYLLI182 NSQVRPELQW239 IEDTLYANVD249 FFKLFRVLPT 259 LLDSRSQGIN269 LRSWGGILSD279 MSPRIQEFIH289 RPSMQDLLWV299 TRPLMQNGGP 309 ETFTKLMGIL319 SDLLCGYPEG329 GGSRVLSFNW339 YEDNNYKAFL349 GIDSTRKDPI 359 YSYDRRTTSF369 CNALIQSLES379 NPLTKIAWRA389 AKPLLMGKIL399 YTPDSPAARR 409 ILKNANSTFE419 ELEHVRKLVK429 AWEEVGPQIW439 YFFDNSTQMN449 MIRDTLGNPT 459 VKDFLNRQLG469 EEGITAEAIL479 NFLYKGPRES489 QADDMANFDW499 RDIFNITDRT 509 LRLVNQYLEC519 LVLDKFESYN529 DETQLTQRAL539 SLLEENMFWA549 GVVFPDMYPW 559 TSSLPPHVKY569 KIRMDIDVVE579 KTNKIKDRYW589 DSGPRADPVE599 DFRYIWGGFA 609 YLQDMVEQGI619 TRSQVQAEAP629 VGIYLQQMPY639 PCFVDDSFMI649 ILNRCFPIFM 659 VLAWIYSVSM669 TVKSIVLEKE679 LRLKETLKNQ689 GVSNAVIWCT699 WFLDSFSIMS 709 MSIFLLTIFI719 MHGRILHYSD729 PFILFLFLLA739 FSTATIMLCF749 LLSTFFSKAS 759 LAAACSGVIY769 FTLYLPHILC779 FAWQDRMTAE789 LKKAVSLLSP799 VAFGFGTEYL 809 VRFEEQGLGL819 QWSNIGNSPT829 EGDEFSFLLS839 MQMMLLDAAV849 YGLLAWYLDQ 859 VFPGDYGTPL869 PWYFLNITFY954 ENQITAFLGH964 NGAGKTTTLS974 ILTGLLPPTS 984 GTVLVGGRDI994 ETSLDAVRQS1004 LGMCPQHNIL1014 FHHLTVAEHM1024 LFYAQLKGKS 1034 QEEAQLEMEA1044 MLEDTGLHHK1054 RNEEAQDLSG1064 GMQRKLSVAI1074 AFVGDAKVVI 1084 LDEPTSGVDP1094 YSRRSIWDLL1104 LKYRSGRTII1114 MSTHHMDEAD1124 LLGDRIAIIA 1134 QGRLYCSGTP1144 LFLKNCGLYL1157 TLLDGDVNEL1208 MDVVLHHVPE1223 CIGQELIFKN 1237 FKHRAYASLF1247 RELEETLADL1257 GLSSFGISDT1267 PLEEIFLKVT1277 GPQLNTGTQL 1350 VLQHVQALLV1360 KRFQHTIRSH1370 KDFLAQIVLP1380 ATFVFLALML1390 SIVIPPFGEY 1400 PALTLHPWIY1410 GQQYTFFSMD1420 EPGSEQFTVL1430 ADVLLNKPGF1440 GNRCLKEGWL 1450 PEYPCGNSTP1460 WKTPSVSPNI1470 TQLFQKQKWT1480 QVNPSPSCRC1490 STREKLTMLP 1500 ECPEGAGGLP1510 PPQRTQRSTE1520 ILQDLTDRNI1530 SDFLVKTYPA1540 LIRSSLKSKF 1550 WVNEQRYGGI1560 SIGGKLPVVP1570 ITGEALVGFL1580 SDLGRIMNVS1590 GGPITREASK 1600 EIPDFLKHLE1610 TEDNIKVWFN1620 NKGWHALVSF1630 LNVAHNAILR1640 ASLPKDRSPE 1650 EYGITVISQP1660 LNLTKEQLSE1670 ITVLTTSVDA1680 VVAICVIFSM1690 SFVPASFVLY 1700 LIQERVNKSK1710 HLQFISGVSP1720 TTYWVTNFLW1730 DIMNYSVSAG1740 LVVGIFIGFQ 1750 KKAYTSPENL1760 PALVALLLLY1770 GWAVIPMMYP1780 ASFLFDVPST1790 AYVALSCANL 1800 FIGINSSAIT1810 FILELFENNR1820 TLLRFNAVLR1830 KLLIVFPHFC1840 LGRGLIDLAL 1850 SQAVTDVYAR1860 FGEEHSANPF1870 HWDLIGKNLF1880 AMVVEGVVYF1890 LLTLLVQRVR 1963 PGECFGLLGV1973 NGAGKTTTFK1983 MLTGDTTVTS1993 GDATVAGKSI2003 LTNISEVHQN 2013 MGYCPQFDAI2023 DELLTGREHL2033 YLYARLRGVP2043 AEEIEKVANW2053 SIKSLGLTVY 2063 ADCLAGTYSG2073 GNKRKLSTAI2083 ALIGCPPLVL2093 LDEPTTGMDP2103 QARRMLWNVI 2113 VSIIREGRAV2123 VLTSHSMEEC2133 EALCTRLAIT2153 IQHLKSKFGD2163 GYIVTMLLPD 2181 LNPVEQFFQG2191 NFRHYNMLQF2208 QVARIFQLLL2223 SHKDSLYSVT2237 QTTLDQVFVN 2247 F
|
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|
|
TRP41
4.377
LEU42
3.795
ALA45
4.497
ASN46
3.985
TRP339
4.068
TYR340
3.339
GLU341
4.230
ASN343
4.650
TYR345
3.574
PHE348
4.097
LEU349
4.280
ARG587
2.744
TYR588
3.772
ILE649
3.537
ILE650
4.017
|
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| PDB ID: 7E7O Cryo-EM structure of human ABCA4 in NRPE-bound state | ||||||
| Method | Electron microscopy | Resolution | 3.40 Å | Mutation | No | [2] |
| PDB Sequence |
MGFVRQIQLL
10 LWKNWTLRKR20 QKIRFVVELV30 WPLSLFLVLI40 WLRNANPLYS50 HHECHFPNKA 60 MPSAGMLPWL70 QGIFCNVNNP80 CFQSPTPGES90 PGIVSNYNNS100 ILARVYRDFQ 110 ELLMNAPESQ120 HLGRIWTELH130 ILSQFMDTLR140 THPERIAGRG150 IRIRDILKDE 160 ETLLLERFII215 FSQRRGAKTS231 LSQGTLQWLY245 ANVDFFKLFR255 VLPTLLDSRS 265 QGINLRSWGG275 ILSDMSPRIQ285 EFIHRPSMQD295 LLWVTRPLMQ305 NGGPETFTKL 315 MGILSDLLCG325 YPEGGGSRVL335 SFNWYEDNNY345 KAFLGIDSTR355 KDPIYSYDRR 365 TTSFCNALIQ375 SLESNPLTKI385 AWRAAKPLLM395 GKILYTPDSP405 AARRILKNAN 415 STFEELEHVR425 KLVKAWEEVG435 PQIWYFFDNS445 TQMNMIRDTL455 GVKDFLNRQL 468 GEEGITAEAI478 LNFLYKGPRE488 SQADNFDWRD501 IFNITDRTLR511 LVNQYLECLV 521 LDKFESYNDE531 TQLTQRALSL541 LEENMFWAGV551 VFPDMYPWTS561 SLPPHVKYKI 571 RMDIDVVEKT581 NKIKDRYWDS591 GPRADPVEDF601 RYIWGGFAYL611 QDMVEQGITR 621 SQVQAEAPVG631 IYLQQMPYPC641 FVDDSFMIIL651 NRCFPIFMVL661 AWIYSVSMTV 671 KSIVLEKELR681 LKETLKNQGV691 SNAVIWCTWF701 LDSFSIMSMS711 IFLLTIFIMH 721 GRILHYSDPF731 ILFLFLLAFS741 TATIMLCFLL751 STFFSKASLA761 AACSGVIYFT 771 LYLPHILCFA781 WQDRMTAELK791 KAVSLLSPVA801 FGFGTEYLVR811 FEEQGLGLQW 821 SNIGNSPTEG831 DEFSFLLSMQ841 MMLLDAAVYG851 LLAWYLDQVF861 DSFFEREHPG 924 WVPGVCVKNL934 VKIAVDRLNI951 TFYENQITAF961 LGHNGAGKTT971 TLSILTGLLP 981 PTSGTVLVGG991 RDIETSLDAV1001 RQSLGMCPQH1011 NILFHHLTVA1021 EHMLFYAQLK 1031 GKSQEEAQLE1041 MEAMLEDTGL1051 HHKRNEEAQD1061 LSGGMQRKLS1071 VAIAFVGDAK 1081 VVILDEPTSG1091 VDPYSRRSIW1101 DLLLKYRSGR1111 TIIMSTHHMD1121 EADLLGDRIA 1131 IIAQGRLYCS1141 GTPLFLKNCF1151 GTGLYLTLVR1161 KMDVNELMDV1211 VLHHVPEAKL 1221 VECIGQELIF1231 LLPNKNFKHR1241 AYASLFRELE1251 ETLADLGLSS1261 FGISDTPLEE 1271 IFLKVTEGPQ1343 LNTGTQLVLQ1353 HVQALLVKRF1363 QHTIRSHKDF1373 LAQIVLPATF 1383 VFLALMLSIV1393 IPPFGEYPAL1403 TLHPWIYGQQ1413 YTFFSMDEPG1423 SEQFTVLADV 1433 LLNKPGFGNR1443 CLKEGWLPEY1453 PCGNSTPWKT1463 PSVSPNITQL1473 FQKQKWTQVN 1483 PSPSCRCSTR1493 EKLTMLPECP1503 EGAGGLPPPQ1513 RTQRSTEILQ1523 DLTDRNISDF 1533 LVKTYPALIR1543 SSLKSKFWVN1553 EQRYGGISIG1563 GKLPVVPITG1573 EALVGFLSDL 1583 GRIMNVSGGP1593 ITREASKEIP1603 DFLKHLETED1613 NIKVWFNNKG1623 WHALVSFLNV 1633 AHNAILRASL1643 PKDRSPEEYG1653 ITVISQPLNL1663 TKEQLSEITV1673 LTTSVDAVVA 1683 ICVIFSMSFV1693 PASFVLYLIQ1703 ERVNKSKHLQ1713 FISGVSPTTY1723 WVTNFLWDIM 1733 NYSVSAGLVV1743 GIFIGFQKKA1753 YTSPENLPAL1763 VALLLLYGWA1773 VIPMMYPASF 1783 LFDVPSTAYV1793 ALSCANLFIG1803 INSSAITFIL1813 ELFENNRTLL1823 RFNAVLRKLL 1833 IVFPHFCLGR1843 GLIDLALSQA1853 VTDVYARFGE1863 EHSANPFHWD1873 LIGKNLFAMV 1883 VEGVVYFLLT1893 LLVQRHFFIV1915 DEDDDVAEER1925 QRIITGGNKT1935 DILRLHELTK 1945 IYPGTSSPAV1955 DRLCVGVRPG1965 ECFGLLGVNG1975 AGKTTTFKML1985 TGDTTVTSGD 1995 ATVAGKSILT2005 NISEVHQNMG2015 YCPQFDAIDE2025 LLTGREHLYL2035 YARLRGVPAE 2045 EIEKVANWSI2055 KSLGLTVYAD2065 CLAGTYSGGN2075 KRKLSTAIAL2085 IGCPPLVLLD 2095 EPTTGMDPQA2105 RRMLWNVIVS2115 IIREGRAVVL2125 TSHSMEECEA2135 LCTRLAIMVK 2145 GAFRCMGTIQ2155 HLKSKFGDGY2165 IVTMKILPDL2182 NPVEQFFQGN2192 FPGSVQRERH 2202 YNMLQFQVSS2212 SSLARIFQLL2222 LSEEYSVTQT2239 TLDQVFVNFA2249 KQQ |
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|
|
LEU35
4.668
VAL38
4.675
LEU42
4.104
TRP339
4.286
TYR340
3.727
TYR345
3.289
PHE348
4.409
LEU349
4.792
ARG587
2.109
TYR588
3.663
ILE649
3.801
ILE650
3.562
ARG653
2.906
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Cryo-EM structures of the ABCA4 importer reveal mechanisms underlying substrate binding and Stargardt disease. Nat Commun. 2021 Oct 8;12(1):5902. | ||||
| REF 2 | Structural basis of substrate recognition and translocation by human ABCA4. Nat Commun. 2021 Jun 22;12(1):3853. | ||||
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