Structure of PDB 8rdr Chain C Binding Site BS02

Receptor Information
>8rdr Chain C (length=106) Species: 55518 (Magnetospirillum gryphiswaldense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGL
RLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDR
LAEGPA
Ligand information
Ligand IDA1HZ3
InChIInChI=1S/C13H11N3O5/c17-11-5-6-13(12(18)14-11)7-9(15-21-13)8-3-1-2-4-10(8)16(19)20/h1-4H,5-7H2,(H,14,17,18)/t13-/m0/s1
InChIKeyRDQBZCUTPQCLBV-ZDUSSCGKSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C1CC[C@]2(CC(=NO2)c3ccccc3[N](=O)=O)C(=O)N1
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C2=NO[C@]3(C2)CCC(=O)NC3=O)N(=O)=O
CACTVS 3.385O=C1CC[C]2(CC(=NO2)c3ccccc3[N](=O)=O)C(=O)N1
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C2=NOC3(C2)CCC(=O)NC3=O)N(=O)=O
FormulaC13 H11 N3 O5
Name(5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
ChEMBL
DrugBank
ZINC
PDB chain8rdr Chain C 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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PDB8rdr Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Resolution1.58 Å
Binding residue
(original residue number in PDB)		N50 P51 E76 F77 W79 W85 W99 Y101
Binding residue
(residue number reindexed from 1)		N33 P34 E59 F60 W62 W68 W82 Y84
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:8rdr, PDBe:8rdr, PDBj:8rdr
PDBsum8rdr
PubMed38552426
UniProtA4TVL0

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