Structure of PDB 8i3c Chain B Binding Site BS02

Receptor Information
>8i3c Chain B (length=552) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CFPITLKFVDVCYRVKRTILSGVTGMISPGEFMAVLGPSGSGKSTLLNAV
AGRLHGSNLTGKILINDGKITKQTLKRTGFVAQDDLLYPHLTVRETLVFV
ALLRLPRSLTRDVKLRAAESVISELGLTKCENTVVGNTFIRGISGGERKR
VSIAHELLINPSLLVLDEPTSGLDATAALRLVQTLAGLAHGKGKTVVTSI
HQPSSRVFQMFDTVLLLSEGKCLFVGKGRDAMAYFESVGFSPAFPMNPAD
FLLDLANGVCVRQTLVTAYDTLLAPQVKTCIGITTCIATWFSQLCILLHR
LLKERRHESFDLLRIFQVVAASILCGLMWWHSDYRDVHDRLGLLFFISIF
WGVLPSFNAVFTFPQERAIFTRERASGMYTLSSYFMAHVLGSLSMELVLP
ASFLTFTYWMVYLRPGIVPFLLTLSVLLLYVLASQGLGLALGAAIMDAKK
ASTIVTVTMLAFVLTGGYYVNKVPSGMVWMKYVSTTFYCYRLLVAIQYGS
GEEILRMLGCDCRFVEEEVIGDVGMWTSVGVLFLMFFGYRVLAYLALRRI
KH
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain8i3c Chain B 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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PDB8i3c Cryo-EM structure and molecular mechanism of abscisic acid transporter ABCG25.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		T552 V559 L560 Y565
Binding residue
(residue number reindexed from 1)		T456 V463 L464 Y469
Annotation score1
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:8i3c, PDBe:8i3c, PDBj:8i3c
PDBsum8i3c
PubMed37666961
UniProtQ84TH5|AB25G_ARATH ABC transporter G family member 25 (Gene Name=ABCG25)

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