Structure of PDB 8wba Chain B Binding Site BS02

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 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wba Cryo-EM structure of the ABCG25 boud CHS
Resolution3.1 Å
Binding residue
(original residue number in PDB)		I445 F453 S548 T552 L556
Binding residue
(residue number reindexed from 1)		I348 F356 S451 T455 L459
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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