Structure of PDB 8wba Chain B Binding Site BS01

Receptor Information
>8wba Chain B (length=553) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CFPITLKFVDVCYRVTILSGVTGMISPGEFMAVLGPSGSGKSTLLNAVAG
RLHGSNLTGKILINDGKITKQTLKRTGFVAQDDLLYPHLTVRETLVFVAL
LRLPRSLTRDVKLRAAESVISELGLTKCENTVVGNTFIRGISGGERKRVS
IAHELLINPSLLVLDEPTSGLDATAALRLVQTLAGLAHGKGKTVVTSIHQ
PSSRVFQMFDTVLLLSEGKCLFVGKGRDAMAYFESVGFSPAFPMNPADFL
LDLANGVCQVRQTLVTAYDTLLAPQVKTCIGITTCIATWFSQLCILLHRL
LKERRHESFDLLRIFQVVAASILCGLMWWHSDYRDVHDRLGLLFFISIFW
GVLPSFNAVFTFPQERAIFTRERASGMYTLSSYFMAHVLGSLSMELVLPA
SFLTFTYWMVYLRPGIVPFLLTLSVLLLYVLASQGLGLALGAAIMDAKKA
STIVTVTMLAFVLTGGYYVNKVPSGMVWMKYVSTTFYCYRLLVAIQYGSG
EEILRMLGCDTSAGCRFVEEEVIGDVGMWTSVGVLFLMFFGYRVLAYLAL
RRI
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 chain8wba 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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PDB8wba Cryo-EM structure of the ABCG25 boud CHS
Resolution3.1 Å
Binding residue
(original residue number in PDB)		Q413 V449 F453
Binding residue
(residue number reindexed from 1)		Q316 V352 F356
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8wba, PDBe:8wba, PDBj:8wba
PDBsum8wba
PubMed38050355
UniProtQ84TH5|AB25G_ARATH ABC transporter G family member 25 (Gene Name=ABCG25)

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