Structure of PDB 8zgt Chain B Binding Site BS01

Receptor Information
>8zgt Chain B (length=158) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WQSFLKKELEFLGVTQVLVGLICLCFGTVVCSTLQTSDFDDEVLLLYRAG
YPFWGAVLFVLSGFLSIMSERKNTLYLVRGSLGANIVSSIAAGLGIAILI
LNLSNNSAYMNYCKDITEDDGCFVTSFITELVLMLLFLTILAFCSAVLLI
IYRIGQEF
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 chain8zgt Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8zgt Structure of the ige-fc bound to its high affinity receptor fc(epsilon)ri state2
Resolution2.96 Å
Binding residue
(original residue number in PDB)		V63 L67 R120
Binding residue
(residue number reindexed from 1)		V14 L18 R71
Annotation score1
Gene Ontology
Molecular Function
GO:0019863 IgE binding
GO:0019901 protein kinase binding
GO:0042169 SH2 domain binding
GO:0051219 phosphoprotein binding
Biological Process
GO:0006955 immune response
GO:0007165 signal transduction
GO:0007166 cell surface receptor signaling pathway
GO:0043306 positive regulation of mast cell degranulation
GO:0051279 regulation of release of sequestered calcium ion into cytosol
Cellular Component
GO:0005768 endosome
GO:0005886 plasma membrane
GO:0009897 external side of plasma membrane
GO:0016020 membrane
GO:0032998 Fc-epsilon receptor I complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8zgt, PDBe:8zgt, PDBj:8zgt
PDBsum8zgt
PubMed39169187
UniProtP13386|FCERB_RAT High affinity immunoglobulin epsilon receptor subunit beta (Gene Name=Ms4a2)

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