Structure of PDB 8wbx Chain B Binding Site BS01

Receptor Information
>8wbx Chain B (length=467) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MISPGEFMAVLGPSGSGKSTLLKQTLKRTGFVAQDDLLYPHLTVRETLVF
VALLRLPRSLTRDVKLRAAESVISELGLTKCENTVVGNTFIRGISGGERK
RVSIAHELLINPSLLVLDEPTSGLDATAALRLVQTLAGLAHGKGKTVVTS
IHQPSSRVFQMFDTVLLLSEGKCLFVGKGRDAMAYFESVGFSPAFPMNPA
DFLLDLAITTCIATWFSQLCILLHRLLKERRHESFDLLRIFQVVAASILC
GLMWWHSDYRDVHDRLGLLFFISIFWGVLPSFNAVFTFPQERAIFTRERA
SGMYTLSSYFMAHVLGSLSMELVLPASFLTFTYWMVYLRPGIVPFLLTLS
VLLLYVLASQGLGLALGAAIMDAKKASTIVTVTMLAFVLTGGYYVNKVPS
GMVWMKYVSTTFYCYRLLVAIQYGSGEEILFVEEEVIGDVGMWTSVGVLF
LMFFGYRVLAYLALRRI
Ligand information
Ligand IDA8S
InChIInChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1
InChIKeyJLIDBLDQVAYHNE-YKALOCIXSA-N
SMILES
SoftwareSMILES
ACDLabs 11.02O=C(O)\C=C(/C=C/C1(O)C(=CC(=O)CC1(C)C)C)C
OpenEye OEToolkits 1.7.0CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C
CACTVS 3.352CC(/C=C/[C@@]1(O)C(=CC(=O)CC1(C)C)C)=C/C(O)=O
CACTVS 3.352CC(C=C[C]1(O)C(=CC(=O)CC1(C)C)C)=CC(O)=O
OpenEye OEToolkits 1.7.0CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C
FormulaC15 H20 O4
Name(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid;
(+)-abscisic acid;
(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid
ChEMBLCHEMBL288040
DrugBankDB16829
ZINCZINC000004492870
PDB chain8wbx Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wbx Cryo-EM structure of the ABCG25 bound to ABA
Resolution3.23 Å
Binding residue
(original residue number in PDB)		I445 V449
Binding residue
(residue number reindexed from 1)		I274 V278
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8wbx, PDBe:8wbx, PDBj:8wbx
PDBsum8wbx
PubMed38050355
UniProtQ84TH5|AB25G_ARATH ABC transporter G family member 25 (Gene Name=ABCG25)

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