Structure of PDB 8e0p Chain C Binding Site BS03

Receptor Information
>8e0p Chain C (length=782) Species: 562,10090 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAA
TGDGPDIIFWAHDRFGGYAQSGLLAEITPAAAFQDKLYPFTWDAVRYNGK
LIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQ
EPYFTWPLIAADGGYAFKYAAGKYDIKDVGVDNAGAKAGLTFLVDLIKNK
HMNADTDYSIAEHAFNHGETAMTINGPWAWSNIDTSAVNYGVTVLPTFKG
QPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAV
ALKSYEEELVKDPRVAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAAS
GRQTVDAALAAAQTNAAAFKESQCHHMLKHLHNGARITVQMPPTIEGHWV
STGCEVRSGPEFMTRSYRFYNNNTFKAYQFYYGSNRCTNPTYTLIIRGKI
RLRQASWIIRGGTEADYQLHGVQVICHTEAVAEQLSRLVNRTCPGFLAPG
GPWVQDVAYDLWQEESNHECTKAVNFAMHELQLIRVEKQYPHHSLDHLVE
ELFLGDIHTDATQRVFYRPSSYQPPLQNAKNHNHACIACRIIFRSDEHHP
PILPPKADLTIGLHGEWVSQRCEVRPEVLFLTRHFIFHDNNNTWEGHYYH
YSDPVCKHPTFTIYARGRYSRGVLSSKVMGGTEFVFKVNHMKVTPMDAAT
ASLLNVFSGSWQVGIQQDVTVALGIKLPHTEYEIFKMEQDTRGRYLLFNG
QRPSDGSSPDRPEKRATSYQMPLVQCASSSPR
Ligand information
Ligand IDDMX
InChIInChI=1S/C12H19NO3S/c1-13(2,9-6-10-17(14,15)16)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyMEJASPJNLSQOAG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[N+](C)(CCCS(=O)(=O)[O-])Cc1ccccc1
ACDLabs 10.04[O-]S(=O)(=O)CCC[N+](C)(Cc1ccccc1)C
CACTVS 3.341C[N+](C)(CCC[S]([O-])(=O)=O)Cc1ccccc1
FormulaC12 H19 N O3 S
Name3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE
ChEMBL
DrugBank
ZINC
PDB chain8e0p Chain C Residue 905 [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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PDB8e0p Structure of WNT inhibitor adenomatosis polyposis coli down-regulated 1 (APCDD1), a cell-surface lipid-binding protein.
Resolution2.33 Å
Binding residue
(original residue number in PDB)		Y93 P94 F95 Q328 I332
Binding residue
(residue number reindexed from 1)		Y88 P89 F90 Q323 I327
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015144 carbohydrate transmembrane transporter activity
GO:0017147 Wnt-protein binding
GO:0042802 identical protein binding
GO:1901982 maltose binding
Biological Process
GO:0001942 hair follicle development
GO:0008643 carbohydrate transport
GO:0015768 maltose transport
GO:0016055 Wnt signaling pathway
GO:0030178 negative regulation of Wnt signaling pathway
GO:0034219 carbohydrate transmembrane transport
GO:0042487 regulation of odontogenesis of dentin-containing tooth
GO:0042956 maltodextrin transmembrane transport
GO:0043615 astrocyte cell migration
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8e0p, PDBe:8e0p, PDBj:8e0p
PDBsum8e0p
PubMed37155902
UniProtC3SHQ8;
Q3U128

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