Structure of PDB 7lkz Chain A Binding Site BS02

Receptor Information
>7lkz Chain A (length=1920) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVRQIQLLLWKNWTLRKRQKIRFVVELVWPLSLFLVLIWLRNANPLYSHH
ECHFPNKAMPSAGMLPWLQGIFCNVNNPCFQSPTPGESPGIVSNYNNSIL
ARVYRDFQELLMNAPESQHLGRIWTELHILSQFMDWGGILSDMSPRIQEF
IHRPSMQDLLWVTRPLGPETFTKLMGILSDLLCGYPEGGGWYEDNNYKAF
LGYDRRTTSFCNALIQSLESNPLTKIAWRAAKPLLMGKILYTPDSPAARR
ILKNANSTFEELEHVRKLVKAWEEVGPQIWYFFDNSTQMNMIRDTLGNPT
VKDFLNRQLDWRDIFNITDRTLRLVNQYLECLVLDKFESYNDETQLTQRA
LSLLEENMFWAGVVFPDMYPWTSSLPPHVKYKIRMDIDVVEKTNKIKDRY
WDSGPRADPVEDFRYIWGGFAYLQDMVEQGITRSQVQAEAPVGIYLQQMP
YPCFVDDSFMIILNRCFPIFMVLAWIYSVSMTVKSIVLEKELRLKETLKN
QGVSNAVIWCTWFLDSFSIMSMSIFLLTIFIMHGRILHYSDPFILFLFLL
AFSTATIMLCFLLSTFFSKASLAAACSGVIYFTLYLPHILCFAWQDRMTA
ELKKAVSLLSPVAFGFGTEYLVRFEEQGLGLQWSNIGNSPTEGDEFSFLL
SMQMMLLDAAVYGLLAWYLDQVFPGDYGTPLPWYFLLQESYWLHDSFFER
EHPGWVPGVCVKNLVKIFEPCGRPAVDRLNITFYENQITAFLGHNGAGKT
TTLSILTGLLPPTSGTVLVGGRDIETSLDAVRQSLGMCPQHNILFHHLTV
AEHMLFYAQLKGKSQEEAQLEMEAMLEDTGLHHKRNEEAQDLSGGMQRKL
SVAIAFVGDAKVVILDQPTSGVDPYSRRSIWDLLLKYRSGRTIIMSTHHM
DEADLLGDRIAIIAQGRLYCSGTPLFLKNCFGTGLYLTLVRKMKQVLDGD
VNELMDVVLHHVPEAKLVECIGQELIFLLPNKNFKHRAYASLFRELEETL
ADLGLSSFGISDTPLEEIFLKVTEDSPQLNTGTQLVLQHVQALLVKRFQH
TIRSHKDFLAQIVLPATFVFLALMLSIVIPPFGEYPALTLHPWIYGQQYT
FFSMDEPGSEQFTVLADVLLNKPGFGNRCLKEGWLPEYPCGNSTPWKTPS
VSPNITQLFQKQKWTQVNPSPSCRCSTREKLTMLPECPEGAGGLPPPQRT
QRSTEILQDLTDRNISDFLVKTYPALIRSSLKSKFWVNEQRYGGISIGGK
LPVVPITGEALVGFLSDLGRIMNVSGGPITREASKEIPDFLKHLETEDNI
KVWFNNKGWHALVSFLNVAHNAILRASLPKDRSPEEYGITVISQPLNLTK
EQLSEITVLTTSVDAVVAICVIFSMSFVPASFVLYLIQERVNKSKHLQFI
SGVSPTTYWVTNFLWDIMNYSVSAGLVVGIFIGFQKKAYTSPENLPALVA
LLLLYGWAVIPMMYPASFLFDVPSTAYVALSCANLFIGINSSAITFILEL
FENNRTLLRFNAVLRKLLIVFPHFCLGRGLIDLALSQAVTDVYARFGEEH
SANPFHWDLIGKNLFAMVVEGVVYFLLTLLVQRHFFLDEDDDVAEERQRI
ITGGNKTDILRLHELTKIYPGTSSPAVDRLCVGVRPGECFGLLGVNGAGK
TTTFKMLTGDTTVTSGDATVAGKSILTNISEVHQNMGYCPQFDAIDELLT
GREHLYLYARLRGVPAEEIEKVANWSIKSLGLTVYADCLAGTYSGGNKRK
LSTAIALIGCPPLVLLDQPTTGMDPQARRMLWNVIVSIIREGRAVVLTSH
SMEECEALCTRLAIMVKGAFRCMGTIQHLKSKFGDGYIVTMKIKSLLPDL
NPVEQFFQGNFPGSVQRERHYNMLQFQVSSSSLARIFQLLLSHKDSLLIE
EYSVTQTTLDQVFVNFAKQQ
Ligand information
Ligand ID6OU
InChIInChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
InChIKeyFHQVHHIBKUMWTI-OTMQOFQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC39 H76 N O8 P
Name[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000008437520
PDB chain7lkz Chain A Residue 2502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7lkz Molecular structures of the eukaryotic retinal importer ABCA4.
Resolution3.27 Å
Binding residue
(original residue number in PDB)		F754 F755 S756 L760
Binding residue
(residue number reindexed from 1)		F566 F567 S568 L572
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

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7lkz, PDBe:7lkz, PDBj:7lkz
PDBsum7lkz
PubMed33605212
UniProtP78363|ABCA4_HUMAN Retinal-specific phospholipid-transporting ATPase ABCA4 (Gene Name=ABCA4)

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