Structure of PDB 8i3a Chain A Binding Site BS01

Receptor Information
>8i3a Chain A (length=562) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSSCFPITLKFVDVCYRVKIHEERTILSGVTGMISPGEFMAVLGPSGSGK
STLLNAVAGRLHGSNLTGKILINDGKITKQTLKRTGFVAQDDLLYPHLTV
RETLVFVALLRLPRSLTRDVKLRAAESVISELGLTKCENTVVGNTFIRGI
SGGERKRVSIAHELLINPSLLVLDQPTSGLDATAALRLVQTLAGLAHGKG
KTVVTSIHQPSSRVFQMFDTVLLLSEGKCLFVGKGRDAMAYFESVGFSPA
FPMNPADFLLDLANGVCQTPNVRQTLVTAYDTLLAPQVKTCIEVSHFITT
CIATWFSQLCILLHRLLKERRHESFDLLRIFQVVAASILCGLMWWHSDYR
DVHDRLGLLFFISIFWGVLPSFNAVFTFPQERAIFTRERASGMYTLSSYF
MAHVLGSLSMELVLPASFLTFTYWMVYLRPGIVPFLLTLSVLLLYVLASQ
GLGLALGAAIMDAKKASTIVTVTMLAFVLTGGYYVNKVPSGMVWMKYVST
TFYCYRLLVAIQYGSGEEILRMLFVEEEVIGDVGMWTSVGVLFLMFFGYR
VLAYLALRRIKH
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 chain8i3a Chain A Residue 701 [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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PDB8i3a Cryo-EM structure and molecular mechanism of abscisic acid transporter ABCG25.
Resolution3.04 Å
Binding residue
(original residue number in PDB)		V49 I83 S103 G104 G106 K107 S108 T109 Q232 H265
Binding residue
(residue number reindexed from 1)		V18 I26 S46 G47 G49 K50 S51 T52 Q175 H208
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0015562 efflux transmembrane transporter activity
GO:0016887 ATP hydrolysis activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0009408 response to heat
GO:0009409 response to cold
GO:0009737 response to abscisic acid
GO:0009738 abscisic acid-activated signaling pathway
GO:0010496 intercellular transport
GO:0048581 negative regulation of post-embryonic development
GO:0055085 transmembrane transport
GO:0080168 abscisic acid transport
GO:0140352 export from cell
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8i3a, PDBe:8i3a, PDBj:8i3a
PDBsum8i3a
PubMed37666961
UniProtQ84TH5|AB25G_ARATH ABC transporter G family member 25 (Gene Name=ABCG25)

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