Structure of PDB 7e7q Chain A Binding Site BS01

Receptor Information
>7e7q Chain A (length=1958) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGFVRQIQLLLWKNWTLRKRQKIRFVVELVWPLSLFLVLIWLRNANPLYS
HHECHFPNKAMPSAGMLPWLQGIFCNVNNPCFQSPTPGESPGIVSNYNNS
ILARVYRDFQELLMNAPESQHLGRIWTELHILSQFMDTLRTHPERIAGRG
IRIRDILKDEETLLLERFIIFSQSLSQGTLQWTLYANVDFFKLFRVLPTL
LDSRSQGINLRSWGGILSDMSPRIQEFIHRPSMQDLLWVTRPLMQNGGPE
TFTKLMGILSDLLCGYPEGGGSRVSYDRRTTSFCNALIQSLESNPLTKIA
WRAAKPLLMGKILYTPDSPAARRILKNANSTFEELEHVRKLVKAWEEVGP
QIWYFFDNSTQMNMIRDTLVKDFLNRQLGEEEAILNFLYKGPRESQAWRD
IFNITDRTLRLVNQYLECLVLDKFESYNDETQLTQRALSLLEENMFWAGV
VFPDMYPWTSSLPPHVKYKIRMDIDVVEKTNKIKDRYWDSGPRADPVEDF
RYIWGGFAYLQDMVEQGITRSQVQAEAPVGIYLQQMPYPCFVDDSFMIIL
NRCFPIFMVLAWIYSVSMTVKSIVLEKELRLKETLKNQGVSNAVIWCTWF
LDSFSIMSMSIFLLTIFIMHGRILHYSDPFILFLFLLAFSTATIMLCFLL
STFFSKASLAAACSGVIYFTLYLPHILCFAWQDRMTAELKKAVSLLSPVA
FGFGTEYLVRFEEQGLGLQWSNIGNSPTEGDEFSFLLSMQMMLLDAAVYG
LLAWYLDQVFPGDYGTPLPWYFLLQESDSFFEREHPGWVPGVCVKNLVKI
FEPCGRPAVDRLNITFYENQITAFLGHNGAGKTTTLSILTGLLPPTSGTV
LVGGRDIETSLDAVRQSLGMCPQHNILFHHLTVAEHMLFYAQLKGKSQEE
AQLEMEAMLEDTGLHHKRNEEAQDLSGGMQRKLSVAIAFVGDAKVVILDQ
PTSGVDPYSRRSIWDLLLKYRSGRTIIMSTHHMDEADLLGDRIAIIAQGR
LYCSGTPLFLKNCFGTGLYLTLVRKDVNELMDVVLHHVPEAKLVECIGQE
LIFLLPKHRAYASLFRELEETGLSSFGISDTPLEEIFLKVTEPECPGPQL
NTGTQLVLQHVQALLVKRFQHTIRSHKDFLAQIVLPATFVFLALMLSIVI
PPFGEYPALTLHPWIYGQQYTFFSMDEPGSEQFTVLADVLLNKPGFGNRC
LKEGWLPEYPCGNSTPWKTPSVSPNITQLFQKQKWTQVNPSPSCRCSTRE
KLTMLPECPEGAGGLPPPQRTQRSTEILQDLTDRNISDFLVKTYPALIRS
SLKSKFWVNEQRYGGISIGGKLPVVPITGEALVGFLSDLGRIMNVSGGPI
TREASKEIPDFLKHLETEDNIKVWFNNKGWHALVSFLNVAHNAILRASLP
KDRSPEEYGITVISQPLNLTKEQLSEITVLTTSVDAVVAICVIFSMSFVP
ASFVLYLIQERVNKSKHLQFISGVSPTTYWVTNFLWDIMNYSVSAGLVVG
IFIGFQKKAYTSPENLPALVALLLLYGWAVIPMMYPASFLFDVPSTAYVA
LSCANLFIGINSSAITFILELFENNRTLLRFNAVLRKLLIVFPHFCLGRG
LIDLALSQAVTDVYARFGEEHSANPFHWDLIGKNLFAMVVEGVVYFLLTL
LVQRHFFKTDILRLHELTKIYPGTSSPAVDRLCVGVRPGECFGLLGVNGA
GKTTTFKMLTGDTTVTSGDATVAGKSILTNISEVHQNMGYCPQFDAIDEL
LTGREHLYLYARLRGVPAEEIEKVANWSIKSLGLTVYADCLAGTYSGGNK
RKLSTAIALIGCPPLVLLDQPTTGMDPQARRMLWNVIVSIIREGRAVVLT
SHSMEECEALCTRLAIMVKGAFRCMGTIQHLKSKFGDGYIVTMKINPVEQ
FFQGNFPGSVQRERHYNMLQFQVSSSSLARIFQLLLSEEYSVTQTTLDQV
FVNFAKQQ
Ligand information
Ligand IDATP
InChIInChI=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
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7e7q Chain A Residue 2308 [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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PDB7e7q Structural basis of substrate recognition and translocation by human ABCA4.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		F938 C941 A945 N965 G968 K969 T970 T971 Q1010 T2070 S2072
Binding residue
(residue number reindexed from 1)		F801 C804 A808 N828 G831 K832 T833 T834 Q873 T1794 S1796
Annotation score5
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7e7q, PDBe:7e7q, PDBj:7e7q
PDBsum7e7q
PubMed34158497
UniProtP78363|ABCA4_HUMAN Retinal-specific phospholipid-transporting ATPase ABCA4 (Gene Name=ABCA4)

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