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 | 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC | ||||
| InChI | 1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1 | ||||
| InChIKey | LVNGJLRDBYCPGB-LDLOPFEMSA-N | ||||
| PubChem Compound ID | 447078 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7E7I Cryo-EM structure of human ABCA4 in the apo state | ||||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [1] |
| 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 KMKQVLDGDV1205 NELMDVVLHH 1215 VPEAKLVECI1225 GQELIFLLPN1235 KNFKHRAYAS1245 LFRELEETLA1255 DLGLSSFGIS 1265 DTPLEEIFLK1275 VTEDGPQLNT1346 GTQLVLQHVQ1356 ALLVKRFQHT1366 IRSHKDFLAQ 1376 IVLPATFVFL1386 ALMLSIVIPP1396 FGEYPALTLH1406 PWIYGQQYTF1416 FSMDEPGSEQ 1426 FTVLADVLLN1436 KPGFGNRCLK1446 EGWLPEYPCG1456 NSTPWKTPSV1466 SPNITQLFQK 1476 QKWTQVNPSP1486 SCRCSTREKL1496 TMLPECPEGA1506 GGLPPPQRTQ1516 RSTEILQDLT 1526 DRNISDFLVK1536 TYPALIRSSL1546 KSKFWVNEQR1556 YGGISIGGKL1566 PVVPITGEAL 1576 VGFLSDLGRI1586 MNVSGGPITR1596 EASKEIPDFL1606 KHLETEDNIK1616 VWFNNKGWHA 1626 LVSFLNVAHN1636 AILRASLPKD1646 RSPEEYGITV1656 ISQPLNLTKE1666 QLSEITVLTT 1676 SVDAVVAICV1686 IFSMSFVPAS1696 FVLYLIQERV1706 NKSKHLQFIS1716 GVSPTTYWVT 1726 NFLWDIMNYS1736 VSAGLVVGIF1746 IGFQKKAYTS1756 PENLPALVAL1766 LLLYGWAVIP 1776 MMYPASFLFD1786 VPSTAYVALS1796 CANLFIGINS1806 SAITFILELF1816 ENNRTLLRFN 1826 AVLRKLLIVF1836 PHFCLGRGLI1846 DLALSQAVTD1856 VYARFGEEHS1866 ANPFHWDLIG 1876 KNLFAMVVEG1886 VVYFLLTLLV1896 QRHFFIVDED1918 DDVAEERQRI1928 ITGGNKTDIL 1938 RLHELTKIYP1948 GTSSPAVDRL1958 CVGVRPGECF1968 GLLGVNGAGK1978 TTTFKMLTGD 1988 TTVTSGDATV1998 AGKSILTNIS2008 EVHQNMGYCP2018 QFDAIDELLT2028 GREHLYLYAR 2038 LRGVPAEEIE2048 KVANWSIKSL2058 GLTVYADCLA2068 GTYSGGNKRK2078 LSTAIALIGC 2088 PPLVLLDEPT2098 TGMDPQARRM2108 LWNVIVSIIR2118 EGRAVVLTSH2128 SMEECEALCT 2138 RLAIMVKGAF2148 RCMGTIQHLK2158 SKFGDGYIVT2168 MKIKLPDLNP2184 VEQFFQGNFP 2194 GSVQRERHYN2204 MLQFQVSSSS2214 LARIFQLLLS2224 EEYSVTQTTL2241 DQVFVNFAKQ 2251 Q
|
|||||
|
|
GLN21
3.659
ILE23
3.586
ARG24
4.130
VAL27
4.857
TRP31
3.998
LEU661
4.067
ILE664
3.822
TYR665
4.054
SER668
3.977
MET669
4.080
LYS672
4.419
LEU760
3.457
ALA762
3.458
ALA763
3.686
CYS764
3.603
VAL767
4.227
PHE770
3.652
THR771
3.926
LEU774
4.176
HIS1017
4.193
HIS1365
3.169
SER1369
4.267
LYS1371
3.023
ASP1372
3.441
LEU1374
3.612
ALA1375
3.767
LEU1379
3.527
PHE1383
3.952
PHE1688
4.218
PHE1692
4.898
LEU1699
3.797
TYR1700
4.591
GLN1703
3.120
PRO1788
4.132
SER1789
3.388
THR1790
4.299
TYR1792
3.902
VAL1793
1.493
SER1796
4.024
CYS1797
4.195
LEU1800
4.184
|
|||||
| PDB ID: 7E7O Cryo-EM structure of human ABCA4 in NRPE-bound state | ||||||
| Method | Electron microscopy | Resolution | 3.40 Å | Mutation | No | [1] |
| 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 |
|||||
|
|
ILE23
3.799
VAL27
3.944
TRP31
3.921
ASN343
4.880
ARG587
4.224
LEU661
4.634
ILE664
3.731
TYR665
3.421
SER668
4.049
MET669
4.208
LYS672
4.953
LYS757
4.647
LEU760
3.544
ALA762
3.877
ALA763
4.079
CYS764
3.598
GLY766
4.903
VAL767
3.705
PHE770
4.623
THR771
3.810
ILE777
4.301
HIS1017
4.026
HIS1365
2.877
SER1369
3.904
LYS1371
3.916
ASP1372
2.590
LEU1374
3.572
ALA1375
3.585
LEU1379
3.522
PHE1383
3.628
LEU1390
4.023
VAL1393
3.888
ILE1394
4.617
PRO1395
4.173
PHE1397
3.998
TRP1551
3.236
SER1677
3.740
ALA1680
4.032
VAL1681
4.257
PHE1688
4.160
PHE1692
4.383
LEU1699
3.466
PRO1788
4.520
SER1789
3.303
THR1790
4.240
TYR1792
3.613
VAL1793
3.596
SER1796
4.111
CYS1797
3.627
LEU1800
3.750
SER1807
4.567
ALA1808
4.094
PHE1811
4.182
ILE1812
4.795
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of substrate recognition and translocation by human ABCA4. Nat Commun. 2021 Jun 22;12(1):3853. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.