Structure of PDB 5oh4 Chain A Binding Site BS02
Receptor Information
>5oh4 Chain A (length=105) Species:
55518
(Magnetospirillum gryphiswaldense) [
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ASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLR
LIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRL
AEGPA
Ligand information
Ligand ID
9UZ
InChI
InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)
InChIKey
KNCYXPMJDCCGSJ-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.6
C1CC(=O)NC(=O)C1
CACTVS 3.385
O=C1CCCC(=O)N1
Formula
C5 H7 N O2
Name
piperidine-2,6-dione
ChEMBL
CHEMBL3763941
DrugBank
ZINC
ZINC000001530742
PDB chain
5oh4 Chain A Residue 202 [
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Receptor-Ligand Complex Structure
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PDB
5oh4
Chemical Ligand Space of Cereblon.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
F77 S78 W79 W85 W99 Y101
Binding residue
(residue number reindexed from 1)
F59 S60 W61 W67 W81 Y83
Annotation score
1
Binding affinity
PDBbind-CN
: -logKd/Ki=4.55,Ki=28uM
BindingDB: Ki=28000nM,IC50=48900nM
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0046872
metal ion binding
View graph for
Molecular Function
External links
PDB
RCSB:5oh4
,
PDBe:5oh4
,
PDBj:5oh4
PDBsum
5oh4
PubMed
31459225
UniProt
A4TVL0
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