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 | 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: 7LKZ Structure of ATP-bound human ABCA4 | ||||||
| Method | Electron microscopy | Resolution | 3.27 Å | Mutation | Yes | [1] |
| PDB Sequence |
FVRQIQLLLW
12 KNWTLRKRQK22 IRFVVELVWP32 LSLFLVLIWL42 RNANPLYSHH52 ECHFPNKAMP 62 SAGMLPWLQG72 IFCNVNNPCF82 QSPTPGESPG92 IVSNYNNSIL102 ARVYRDFQEL 112 LMNAPESQHL122 GRIWTELHIL132 SQFMDWGGIL277 SDMSPRIQEF287 IHRPSMQDLL 297 WVTRPLGPET311 FTKLMGILSD321 LLCGYPEGGG331 WYEDNNYKAF348 LGYDRRTTSF 369 CNALIQSLES379 NPLTKIAWRA389 AKPLLMGKIL399 YTPDSPAARR409 ILKNANSTFE 419 ELEHVRKLVK429 AWEEVGPQIW439 YFFDNSTQMN449 MIRDTLGNPT459 VKDFLNRQLD 498 WRDIFNITDR508 TLRLVNQYLE518 CLVLDKFESY528 NDETQLTQRA538 LSLLEENMFW 548 AGVVFPDMYP558 WTSSLPPHVK568 YKIRMDIDVV578 EKTNKIKDRY588 WDSGPRADPV 598 EDFRYIWGGF608 AYLQDMVEQG618 ITRSQVQAEA628 PVGIYLQQMP638 YPCFVDDSFM 648 IILNRCFPIF658 MVLAWIYSVS668 MTVKSIVLEK678 ELRLKETLKN688 QGVSNAVIWC 698 TWFLDSFSIM708 SMSIFLLTIF718 IMHGRILHYS728 DPFILFLFLL738 AFSTATIMLC 748 FLLSTFFSKA758 SLAAACSGVI768 YFTLYLPHIL778 CFAWQDRMTA788 ELKKAVSLLS 798 PVAFGFGTEY808 LVRFEEQGLG818 LQWSNIGNSP828 TEGDEFSFLL838 SMQMMLLDAA 848 VYGLLAWYLD858 QVFPGDYGTP868 LPWYFLLQES878 YWLHDSFFER920 EHPGWVPGVC 930 VKNLVKIFEP940 CGRPAVDRLN950 ITFYENQITA960 FLGHNGAGKT970 TTLSILTGLL 980 PPTSGTVLVG990 GRDIETSLDA1000 VRQSLGMCPQ1010 HNILFHHLTV1020 AEHMLFYAQL 1030 KGKSQEEAQL1040 EMEAMLEDTG1050 LHHKRNEEAQ1060 DLSGGMQRKL1070 SVAIAFVGDA 1080 KVVILDQPTS1090 GVDPYSRRSI1100 WDLLLKYRSG1110 RTIIMSTHHM1120 DEADLLGDRI 1130 AIIAQGRLYC1140 SGTPLFLKNC1150 FGTGLYLTLV1160 RKMKQVLDGD1204 VNELMDVVLH 1214 HVPEAKLVEC1224 IGQELIFLLP1234 NKNFKHRAYA1244 SLFRELEETL1254 ADLGLSSFGI 1264 SDTPLEEIFL1274 KVTEDSPQLN1345 TGTQLVLQHV1355 QALLVKRFQH1365 TIRSHKDFLA 1375 QIVLPATFVF1385 LALMLSIVIP1395 PFGEYPALTL1405 HPWIYGQQYT1415 FFSMDEPGSE 1425 QFTVLADVLL1435 NKPGFGNRCL1445 KEGWLPEYPC1455 GNSTPWKTPS1465 VSPNITQLFQ 1475 KQKWTQVNPS1485 PSCRCSTREK1495 LTMLPECPEG1505 AGGLPPPQRT1515 QRSTEILQDL 1525 TDRNISDFLV1535 KTYPALIRSS1545 LKSKFWVNEQ1555 RYGGISIGGK1565 LPVVPITGEA 1575 LVGFLSDLGR1585 IMNVSGGPIT1595 REASKEIPDF1605 LKHLETEDNI1615 KVWFNNKGWH 1625 ALVSFLNVAH1635 NAILRASLPK1645 DRSPEEYGIT1655 VISQPLNLTK1665 EQLSEITVLT 1675 TSVDAVVAIC1685 VIFSMSFVPA1695 SFVLYLIQER1705 VNKSKHLQFI1715 SGVSPTTYWV 1725 TNFLWDIMNY1735 SVSAGLVVGI1745 FIGFQKKAYT1755 SPENLPALVA1765 LLLLYGWAVI 1775 PMMYPASFLF1785 DVPSTAYVAL1795 SCANLFIGIN1805 SSAITFILEL1815 FENNRTLLRF 1825 NAVLRKLLIV1835 FPHFCLGRGL1845 IDLALSQAVT1855 DVYARFGEEH1865 SANPFHWDLI 1875 GKNLFAMVVE1885 GVVYFLLTLL1895 VQRHFFLDED1918 DDVAEERQRI1928 ITGGNKTDIL 1938 RLHELTKIYP1948 GTSSPAVDRL1958 CVGVRPGECF1968 GLLGVNGAGK1978 TTTFKMLTGD 1988 TTVTSGDATV1998 AGKSILTNIS2008 EVHQNMGYCP2018 QFDAIDELLT2028 GREHLYLYAR 2038 LRGVPAEEIE2048 KVANWSIKSL2058 GLTVYADCLA2068 GTYSGGNKRK2078 LSTAIALIGC 2088 PPLVLLDQPT2098 TGMDPQARRM2108 LWNVIVSIIR2118 EGRAVVLTSH2128 SMEECEALCT 2138 RLAIMVKGAF2148 RCMGTIQHLK2158 SKFGDGYIVT2168 MKIKSLLPDL2182 NPVEQFFQGN 2192 FPGSVQRERH2202 YNMLQFQVSS2212 SSLARIFQLL2222 LSHKDSLLIE2232 EYSVTQTTLD 2242 QVFVNFAKQQ2252
|
|||||
|
|
PHE938
3.328
ARG943
4.590
ALA945
3.425
GLY963
4.904
HIS964
4.173
ASN965
3.151
GLY966
3.226
ALA967
4.051
GLY968
3.247
LYS969
2.961
THR970
3.123
THR971
3.515
GLN1010
3.165
LYS1054
2.854
GLU1057
3.752
ASP1061
3.284
LEU1062
4.878
SER1063
3.396
GLY1064
3.218
GLY1065
3.292
MET1066
4.701
GLN1087
4.137
GLY1091
4.529
HIS1118
3.131
TYR1947
3.565
THR1950
4.527
ALA1954
4.060
VAL1973
4.509
ASN1974
2.674
GLY1975
3.069
ALA1976
4.114
GLY1977
3.385
LYS1978
2.887
THR1979
3.156
THR1980
2.931
GLN2019
3.828
TYR2063
4.068
GLY2069
4.768
THR2070
2.696
TYR2071
4.416
SER2072
3.280
GLY2073
2.709
GLY2074
2.947
ASN2075
4.989
GLN2096
3.665
GLY2100
4.158
HIS2128
3.820
|
|||||
| PDB ID: 7E7Q Cryo-EM structure of human ABCA4 in ATP-bound state | ||||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
MGFVRQIQLL
10 LWKNWTLRKR20 QKIRFVVELV30 WPLSLFLVLI40 WLRNANPLYS50 HHECHFPNKA 60 MPSAGMLPWL70 QGIFCNVNNP80 CFQSPTPGES90 PGIVSNYNNS100 ILARVYRDFQ 110 ELLMNAPESQ120 HLGRIWTELH130 ILSQFMDTLR140 THPERIAGRG150 IRIRDILKDE 160 ETLLLERFII215 FSQSLSQGTL237 QWTLYANVDF250 FKLFRVLPTL260 LDSRSQGINL 270 RSWGGILSDM280 SPRIQEFIHR290 PSMQDLLWVT300 RPLMQNGGPE310 TFTKLMGILS 320 DLLCGYPEGG330 GSRVSYDRRT366 TSFCNALIQS376 LESNPLTKIA386 WRAAKPLLMG 396 KILYTPDSPA406 ARRILKNANS416 TFEELEHVRK426 LVKAWEEVGP436 QIWYFFDNST 446 QMNMIRDTLV460 KDFLNRQLGE470 EEAILNFLYK484 GPRESQAWRD501 IFNITDRTLR 511 LVNQYLECLV521 LDKFESYNDE531 TQLTQRALSL541 LEENMFWAGV551 VFPDMYPWTS 561 SLPPHVKYKI571 RMDIDVVEKT581 NKIKDRYWDS591 GPRADPVEDF601 RYIWGGFAYL 611 QDMVEQGITR621 SQVQAEAPVG631 IYLQQMPYPC641 FVDDSFMIIL651 NRCFPIFMVL 661 AWIYSVSMTV671 KSIVLEKELR681 LKETLKNQGV691 SNAVIWCTWF701 LDSFSIMSMS 711 IFLLTIFIMH721 GRILHYSDPF731 ILFLFLLAFS741 TATIMLCFLL751 STFFSKASLA 761 AACSGVIYFT771 LYLPHILCFA781 WQDRMTAELK791 KAVSLLSPVA801 FGFGTEYLVR 811 FEEQGLGLQW821 SNIGNSPTEG831 DEFSFLLSMQ841 MMLLDAAVYG851 LLAWYLDQVF 861 PGDYGTPLPW871 YFLLQESDSF917 FEREHPGWVP927 GVCVKNLVKI937 FEPCGRPAVD 947 RLNITFYENQ957 ITAFLGHNGA967 GKTTTLSILT977 GLLPPTSGTV987 LVGGRDIETS 997 LDAVRQSLGM1007 CPQHNILFHH1017 LTVAEHMLFY1027 AQLKGKSQEE1037 AQLEMEAMLE 1047 DTGLHHKRNE1057 EAQDLSGGMQ1067 RKLSVAIAFV1077 GDAKVVILDQ1087 PTSGVDPYSR 1097 RSIWDLLLKY1107 RSGRTIIMST1117 HHMDEADLLG1127 DRIAIIAQGR1137 LYCSGTPLFL 1147 KNCFGTGLYL1157 TLVRKDVNEL1208 MDVVLHHVPE1218 AKLVECIGQE1228 LIFLLPKHRA 1242 YASLFRELEE1252 TGLSSFGISD1266 TPLEEIFLKV1276 TEPECPGPQL1344 NTGTQLVLQH 1354 VQALLVKRFQ1364 HTIRSHKDFL1374 AQIVLPATFV1384 FLALMLSIVI1394 PPFGEYPALT 1404 LHPWIYGQQY1414 TFFSMDEPGS1424 EQFTVLADVL1434 LNKPGFGNRC1444 LKEGWLPEYP 1454 CGNSTPWKTP1464 SVSPNITQLF1474 QKQKWTQVNP1484 SPSCRCSTRE1494 KLTMLPECPE 1504 GAGGLPPPQR1514 TQRSTEILQD1524 LTDRNISDFL1534 VKTYPALIRS1544 SLKSKFWVNE 1554 QRYGGISIGG1564 KLPVVPITGE1574 ALVGFLSDLG1584 RIMNVSGGPI1594 TREASKEIPD 1604 FLKHLETEDN1614 IKVWFNNKGW1624 HALVSFLNVA1634 HNAILRASLP1644 KDRSPEEYGI 1654 TVISQPLNLT1664 KEQLSEITVL1674 TTSVDAVVAI1684 CVIFSMSFVP1694 ASFVLYLIQE 1704 RVNKSKHLQF1714 ISGVSPTTYW1724 VTNFLWDIMN1734 YSVSAGLVVG1744 IFIGFQKKAY 1754 TSPENLPALV1764 ALLLLYGWAV1774 IPMMYPASFL1784 FDVPSTAYVA1794 LSCANLFIGI 1804 NSSAITFILE1814 LFENNRTLLR1824 FNAVLRKLLI1834 VFPHFCLGRG1844 LIDLALSQAV 1854 TDVYARFGEE1864 HSANPFHWDL1874 IGKNLFAMVV1884 EGVVYFLLTL1894 LVQRHFFKTD 1936 ILRLHELTKI1946 YPGTSSPAVD1956 RLCVGVRPGE1966 CFGLLGVNGA1976 GKTTTFKMLT 1986 GDTTVTSGDA1996 TVAGKSILTN2006 ISEVHQNMGY2016 CPQFDAIDEL2026 LTGREHLYLY 2036 ARLRGVPAEE2046 IEKVANWSIK2056 SLGLTVYADC2066 LAGTYSGGNK2076 RKLSTAIALI 2086 GCPPLVLLDQ2096 PTTGMDPQAR2106 RMLWNVIVSI2116 IREGRAVVLT2126 SHSMEECEAL 2136 CTRLAIMVKG2146 AFRCMGTIQH2156 LKSKFGDGYI2166 VTMKINPVEQ2187 FFQGNFPGSV 2197 QRERHYNMLQ2207 FQVSSSSLAR2217 IFQLLLSEEY2234 SVTQTTLDQV2244 FVNFAKQQ |
|||||
|
|
PHE938
3.654
CYS941
3.374
ARG943
4.686
ALA945
3.543
HIS964
4.184
ASN965
2.596
GLY966
4.265
ALA967
3.899
GLY968
3.482
LYS969
3.094
THR970
2.631
THR971
2.987
GLN1010
2.939
LYS1054
3.474
GLN1060
4.836
ASP1061
3.185
LEU1062
4.415
SER1063
3.291
GLY1064
4.036
GLY1065
3.215
MET1066
3.725
GLN1087
4.865
GLY1091
4.194
HIS1118
3.304
TYR1947
3.838
ALA1954
4.032
VAL1973
4.403
ASN1974
2.552
GLY1975
3.705
ALA1976
3.267
GLY1977
3.163
LYS1978
3.056
THR1979
2.746
THR1980
3.150
GLN2019
2.888
THR2070
3.260
TYR2071
4.628
SER2072
3.565
GLY2073
4.103
GLY2074
3.355
GLN2096
4.296
GLY2100
3.920
HIS2128
3.513
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Molecular structures of the eukaryotic retinal importer ABCA4. Elife. 2021 Feb 19;10:e63524. | ||||
| REF 2 | Structural basis of substrate recognition and translocation by human ABCA4. Nat Commun. 2021 Jun 22;12(1):3853. | ||||
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