Structure of PDB 5oh1 Chain C Binding Site BS02

Receptor Information
>5oh1 Chain C (length=100) Species: 55518 (Magnetospirillum gryphiswaldense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GASIFRCRQCGQTISRRDWLLEHVVFNPAGMIFRVWCFSLAQGLRLIGAP
SGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPA
Ligand information
Ligand ID9UQ
InChIInChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)/t13-/m1/s1
InChIKeyROBVIMPUHSLWNV-CYBMUJFWSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[C]1(CCC(=O)NC1=O)c2ccc(N)cc2
OpenEye OEToolkits 2.0.6CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N
CACTVS 3.385CC[C@@]1(CCC(=O)NC1=O)c2ccc(N)cc2
OpenEye OEToolkits 2.0.6CCC1(CCC(=O)NC1=O)c2ccc(cc2)N
FormulaC13 H16 N2 O2
Name(3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione
ChEMBLCHEMBL2051951
DrugBank
ZINCZINC000001530856
PDB chain5oh1 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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PDB5oh1 Chemical Ligand Space of Cereblon.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E76 F77 W79 W85 W99 Y101
Binding residue
(residue number reindexed from 1)		E53 F54 W56 W62 W76 Y78
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.41,Ki=39uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5oh1, PDBe:5oh1, PDBj:5oh1
PDBsum5oh1
PubMed31459225
UniProtA4TVL0

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