Structure of PDB 7e7o Chain A Binding Site BS01

Receptor Information
>7e7o Chain A (length=2003) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGFVRQIQLLLWKNWTLRKRQKIRFVVELVWPLSLFLVLIWLRNANPLYS
HHECHFPNKAMPSAGMLPWLQGIFCNVNNPCFQSPTPGESPGIVSNYNNS
ILARVYRDFQELLMNAPESQHLGRIWTELHILSQFMDTLRTHPERIAGRG
IRIRDILKDEETLLLERFIIFSQRRGAKTSLSQGTLQWLYANVDFFKLFR
VLPTLLDSRSQGINLRSWGGILSDMSPRIQEFIHRPSMQDLLWVTRPLMQ
NGGPETFTKLMGILSDLLCGYPEGGGSRVLSFNWYEDNNYKAFLGIDSTR
KDPIYSYDRRTTSFCNALIQSLESNPLTKIAWRAAKPLLMGKILYTPDSP
AARRILKNANSTFEELEHVRKLVKAWEEVGPQIWYFFDNSTQMNMIRDTL
GVKDFLNRQLGEEGITAEAILNFLYKGPRESQADNFDWRDIFNITDRTLR
LVNQYLECLVLDKFESYNDETQLTQRALSLLEENMFWAGVVFPDMYPWTS
SLPPHVKYKIRMDIDVVEKTNKIKDRYWDSGPRADPVEDFRYIWGGFAYL
QDMVEQGITRSQVQAEAPVGIYLQQMPYPCFVDDSFMIILNRCFPIFMVL
AWIYSVSMTVKSIVLEKELRLKETLKNQGVSNAVIWCTWFLDSFSIMSMS
IFLLTIFIMHGRILHYSDPFILFLFLLAFSTATIMLCFLLSTFFSKASLA
AACSGVIYFTLYLPHILCFAWQDRMTAELKKAVSLLSPVAFGFGTEYLVR
FEEQGLGLQWSNIGNSPTEGDEFSFLLSMQMMLLDAAVYGLLAWYLDQVF
DSFFEREHPGWVPGVCVKNLVKIAVDRLNITFYENQITAFLGHNGAGKTT
TLSILTGLLPPTSGTVLVGGRDIETSLDAVRQSLGMCPQHNILFHHLTVA
EHMLFYAQLKGKSQEEAQLEMEAMLEDTGLHHKRNEEAQDLSGGMQRKLS
VAIAFVGDAKVVILDEPTSGVDPYSRRSIWDLLLKYRSGRTIIMSTHHMD
EADLLGDRIAIIAQGRLYCSGTPLFLKNCFGTGLYLTLVRKMDVNELMDV
VLHHVPEAKLVECIGQELIFLLPNKNFKHRAYASLFRELEETLADLGLSS
FGISDTPLEEIFLKVTEGPQLNTGTQLVLQHVQALLVKRFQHTIRSHKDF
LAQIVLPATFVFLALMLSIVIPPFGEYPALTLHPWIYGQQYTFFSMDEPG
SEQFTVLADVLLNKPGFGNRCLKEGWLPEYPCGNSTPWKTPSVSPNITQL
FQKQKWTQVNPSPSCRCSTREKLTMLPECPEGAGGLPPPQRTQRSTEILQ
DLTDRNISDFLVKTYPALIRSSLKSKFWVNEQRYGGISIGGKLPVVPITG
EALVGFLSDLGRIMNVSGGPITREASKEIPDFLKHLETEDNIKVWFNNKG
WHALVSFLNVAHNAILRASLPKDRSPEEYGITVISQPLNLTKEQLSEITV
LTTSVDAVVAICVIFSMSFVPASFVLYLIQERVNKSKHLQFISGVSPTTY
WVTNFLWDIMNYSVSAGLVVGIFIGFQKKAYTSPENLPALVALLLLYGWA
VIPMMYPASFLFDVPSTAYVALSCANLFIGINSSAITFILELFENNRTLL
RFNAVLRKLLIVFPHFCLGRGLIDLALSQAVTDVYARFGEEHSANPFHWD
LIGKNLFAMVVEGVVYFLLTLLVQRHFFIVDEDDDVAEERQRIITGGNKT
DILRLHELTKIYPGTSSPAVDRLCVGVRPGECFGLLGVNGAGKTTTFKML
TGDTTVTSGDATVAGKSILTNISEVHQNMGYCPQFDAIDELLTGREHLYL
YARLRGVPAEEIEKVANWSIKSLGLTVYADCLAGTYSGGNKRKLSTAIAL
IGCPPLVLLDEPTTGMDPQARRMLWNVIVSIIREGRAVVLTSHSMEECEA
LCTRLAIMVKGAFRCMGTIQHLKSKFGDGYIVTMKILPDLNPVEQFFQGN
FPGSVQRERHYNMLQFQVSSSSLARIFQLLLSEEYSVTQTTLDQVFVNFA
KQQ
Ligand information
Ligand IDHZL
InChIInChI=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
InChIKeyDCJYQTYECYRVQM-JOQDOZEYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
CACTVS 3.385CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC/N=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCC=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
FormulaC61 H104 N O8 P
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
ChEMBL
DrugBank
ZINC
PDB chain7e7o Chain A Residue 2311 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7e7o Structural basis of substrate recognition and translocation by human ABCA4.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		Y340 Y345 R587 Y588 I650 R653 S1677
Binding residue
(residue number reindexed from 1)		Y285 Y290 R526 Y527 I589 R592 S1454
Annotation score1
Enzymatic activity
Enzyme Commision number 7.6.2.1: P-type phospholipid transporter.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005501 retinoid binding
GO:0005502 11-cis retinal binding
GO:0005503 all-trans retinal binding
GO:0005524 ATP binding
GO:0005548 phospholipid transporter activity
GO:0016887 ATP hydrolysis activity
GO:0034632 retinol transmembrane transporter activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0090555 phosphatidylethanolamine flippase activity
GO:0140326 ATPase-coupled intramembrane lipid transporter activity
GO:0140327 flippase activity
GO:0140347 N-retinylidene-phosphatidylethanolamine flippase activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0001523 retinoid metabolic process
GO:0006649 phospholipid transfer to membrane
GO:0006869 lipid transport
GO:0007601 visual perception
GO:0007603 phototransduction, visible light
GO:0034633 retinol transport
GO:0042574 retinal metabolic process
GO:0045332 phospholipid translocation
GO:0045494 photoreceptor cell maintenance
GO:0055085 transmembrane transport
Cellular Component
GO:0001750 photoreceptor outer segment
GO:0005783 endoplasmic reticulum
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0031410 cytoplasmic vesicle
GO:0042995 cell projection
GO:0043231 intracellular membrane-bounded organelle
GO:0097381 photoreceptor disc membrane
GO:0120202 rod photoreceptor disc membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7e7o, PDBe:7e7o, PDBj:7e7o
PDBsum7e7o
PubMed34158497
UniProtP78363|ABCA4_HUMAN Retinal-specific phospholipid-transporting ATPase ABCA4 (Gene Name=ABCA4)

[Back to BioLiP]