Structure of PDB 8rds Chain B Binding Site BS02

Receptor Information
>8rds Chain B (length=105) Species: 55518 (Magnetospirillum gryphiswaldense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLR
LIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRL
AEGPA
Ligand information
Ligand IDA1HZ6
InChIInChI=1S/C14H14N2O4/c1-19-11-5-3-2-4-9(11)10-8-14(20-16-10)7-6-12(17)15-13(14)18/h2-5H,6-8H2,1H3,(H,15,17,18)/t14-/m0/s1
InChIKeyVINFHGWFKCWIPO-AWEZNQCLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccccc1C2=NO[C@]3(C2)CCC(=O)NC3=O
CACTVS 3.385COc1ccccc1C2=NO[C@@]3(CCC(=O)NC3=O)C2
OpenEye OEToolkits 2.0.7COc1ccccc1C2=NOC3(C2)CCC(=O)NC3=O
CACTVS 3.385COc1ccccc1C2=NO[C]3(CCC(=O)NC3=O)C2
FormulaC14 H14 N2 O4
Name(5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
ChEMBL
DrugBank
ZINC
PDB chain8rds Chain B Residue 202 [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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PDB8rds Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N50 F77 W79 W85 W99 Y101
Binding residue
(residue number reindexed from 1)		N32 F59 W61 W67 W81 Y83
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8rds, PDBe:8rds, PDBj:8rds
PDBsum8rds
PubMed38552426
UniProtA4TVL0

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