Structure of PDB 8rdt Chain A Binding Site BS02

Receptor Information
>8rdt Chain A (length=102) Species: 55518 (Magnetospirillum gryphiswaldense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRL
IGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLA
EG
Ligand information
Ligand IDA1HZ2
InChIInChI=1S/C16H18N2O6/c1-21-11-5-4-9(13(22-2)14(11)23-3)10-8-16(24-18-10)7-6-12(19)17-15(16)20/h4-5H,6-8H2,1-3H3,(H,17,19,20)/t16-/m0/s1
InChIKeyRKTBPSUWUCWUFM-INIZCTEOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccc(C2=NO[C@@]3(CCC(=O)NC3=O)C2)c(OC)c1OC
CACTVS 3.385COc1ccc(C2=NO[C]3(CCC(=O)NC3=O)C2)c(OC)c1OC
OpenEye OEToolkits 2.0.7COc1ccc(c(c1OC)OC)C2=NO[C@]3(C2)CCC(=O)NC3=O
OpenEye OEToolkits 2.0.7COc1ccc(c(c1OC)OC)C2=NOC3(C2)CCC(=O)NC3=O
FormulaC16 H18 N2 O6
Name(5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
ChEMBL
DrugBank
ZINC
PDB chain8rdt Chain A 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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PDB8rdt Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		N50 P51 F77 W79 W85 W99 Y101
Binding residue
(residue number reindexed from 1)		N31 P32 F58 W60 W66 W80 Y82
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:8rdt, PDBe:8rdt, PDBj:8rdt
PDBsum8rdt
PubMed38552426
UniProtA4TVL0

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