Structure of PDB 8f5b Chain A Binding Site BS01

Receptor Information
>8f5b Chain A (length=1924) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVRQIQLLLWKNWTLRKRQKIRFVVELVWPLSLFLVLIWLRNANPLYSHH
ECHFPNKAMPSAGMLPWLQGIFCNVNNPCFQSPTPGESPGIVSNYNNSIL
ARVYRDFQELLMNAPESQHLGRIWTELHILSQFMDTLSQGINLRSWGGIL
SDMSPRIQEFIHRPSMQDLLWVTRPLMQNGGPETFTKLMGILSDLLCGYP
EYEDNNYKAFLGYDRRTTSFCNALIQSLESNPLTKIAWRAAKPLLMGKIL
YTPDSPAARRILKNANSTFEELEHVRKLVKAWEEVGPQIWYFFDNSTQMN
MIRDTLGNPTVKDFLNRQLANFDWRDIFNITDRTLRLVNQYLECLVLDKF
ESYNDETQLTQRALSLLEENMFWAGVVFPDMYPWTSSLPPHVKYKIRMDI
DVVEKTNKIKDRYWDSGPRADPVEDFRYIWGGFAYLQDMVEQGITRSQVQ
AEAPVGIYLQQMPYPCFVDDSFMIILNRCFPIFMVLAWIYSVSMTVKSIV
LEKELRLKETLKNQGVSNAVIWCTWFLDSFSIMSMSIFLLTIFIMHGRIL
HYSDPFILFLFLLAFSTATIMLCFLLSTFFSKASLAAACSGVIYFTLYLP
HILCFAWQDRMTAELKKAVSLLSPVAFGFGTEYLVRFEEQGLGLQWSNIG
NSPTEGDEFSFLLSMQMMLLDAAVYGLLAWYLDQVFPGDYGTPLPWYFLL
QESYWHDSFFEREHPGWVPGVCVKNLVKIFEPCGRPAVDRLNITFYENQI
TAFLGHNGAGKTTTLSILTGLLPPTSGTVLVGGRDIETSLDAVRQSLGMC
PQHNILFHHLTVAEHMLFYAQLKGKSQEEAQLEMEAMLEDTGLHHKRNEE
AQDLSGGMQRKLSVAIAFVGDAKVVILDEPTSGVDPYSRRSIWDLLLKYR
SGRTIIMSTHHMDEADLLGDRIAIIAQGRLYCSGTPLFLKNCFGTGLYLT
LVRDGDVNELMDVVLHHVPEAKLVECIGQELIFLLPNKNFKHRAYASLFR
ELEETLADLGLSSFGISDTPLEEIFLKVTEDSDSGGTQLVLQHVQALLVK
RFQHTIRSHKDFLAQIVLPATFVFLALMLSIVIPPFGEYPALTLHPWIYG
QQYTFFSMDEPGSEQFTVLADVLLNKPGFGNRCLKEGWLPEYPCGNSTPW
KTPSVSPNITQLFQKQKWTQVNPSPSCRCSTREKLTMLPECPEGAGGLPP
PQRTQRSTEILQDLTDRNISDFLVKTYPALIRSSLKSKFWVNEQRYGGIS
IGGKLPVVPITGEALVGFLSDLGRIMNVSGGPITREASKEIPDFLKHLET
EDNIKVWFNNKGWHALVSFLNVAHNAILRASLPKDRSPEEYGITVISQPL
NLTKEQLSEITVLTTSVDAVVAICVIFSMSFVPASFVLYLIQERVNKSKH
LQFISGVSPTTYWVTNFLWDIMNYSVSAGLVVGIFIGFQKKAYTSPENLP
ALVALLLLYGWAVIPMMYPASFLFDVPSTAYVALSCANLFIGINSSAITF
ILELFENNRTLLRFNAVLRKLLIVFPHFCLGRGLIDLALSQAVTDVYARF
GEEHSANPFHWDLIGKNLFAMVVEGVVYFLLTLLVQRHFFLIVDEDDDVA
EERQRIITGGNKTDILRLHELTKIYPGTSSPAVDRLCVGVRPGECFGLLG
VNGAGKTTTFKMLTGDTTVTSGDATVAGKSILTNISEVHQNMGYCPQFDA
IDELLTGREHLYLYARLRGVPAEEIEKVANWSIKSLGLTVYADCLAGTYS
GGNKRKLSTAIALIGCPPLVLLDEPTTGMDPQARRMLWNVIVSIIREGRA
VVLTSHSMEECEALCTRLAIMVKGAFRCMGTIQHLKSKFGDGYIVTMKIK
SDLNPVEQFFQGNFPGSVQRERHYNMLQFQVSSSSLARIFQLLLSHKDSL
LIEEYSVTQTTLDQVFVNFAKQQT
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain8f5b Chain A Residue 2304 [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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PDB8f5b Structural and Functional Characterization of ABCA4 in its Nucleotide-Bound State
Resolution3.95 Å
Binding residue
(original residue number in PDB)		N965 G966 G968 K969 T970 T971 Q1010 T2070 S2072
Binding residue
(residue number reindexed from 1)		N757 G758 G760 K761 T762 T763 Q802 T1748 S1750
Annotation score3
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:8f5b, PDBe:8f5b, PDBj:8f5b
PDBsum8f5b
PubMed39128720
UniProtP78363|ABCA4_HUMAN Retinal-specific phospholipid-transporting ATPase ABCA4 (Gene Name=ABCA4)

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