Structure of PDB 5oha Chain A Binding Site BS02
Receptor Information
>5oha Chain A (length=105) Species:
55518
(Magnetospirillum gryphiswaldense) [
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ASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLR
LIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRL
AEGPA
Ligand information
Ligand ID
9UW
InChI
InChI=1S/C3H2N2OS/c6-2-1-4-3(7)5-2/h1H,(H,5,6,7)
InChIKey
KAKLKODZMNCHIC-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.6
C1=NC(=S)NC1=O
CACTVS 3.385
O=C1NC(=S)N=C1
Formula
C3 H2 N2 O S
Name
2-sulfanylideneimidazol-4-one
ChEMBL
DrugBank
ZINC
PDB chain
5oha Chain A Residue 202 [
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Receptor-Ligand Complex Structure
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PDB
5oha
Chemical Ligand Space of Cereblon.
Resolution
1.55 Å
Binding residue
(original residue number in PDB)
F77 W79 W85 W99 Y101
Binding residue
(residue number reindexed from 1)
F59 W61 W67 W81 Y83
Annotation score
1
Binding affinity
PDBbind-CN
: -logKd/Ki=4.89,Kd=13uM
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0046872
metal ion binding
View graph for
Molecular Function
External links
PDB
RCSB:5oha
,
PDBe:5oha
,
PDBj:5oha
PDBsum
5oha
PubMed
31459225
UniProt
A4TVL0
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