Structure of PDB 4v32 Chain B Binding Site BS02

Receptor Information
>4v32 Chain B (length=104) Species: 431944 (Magnetospirillum gryphiswaldense MSR-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRL
IGAPSGEFSWFKGYDWTIALCGQCGSHLGWHFEGGSQPQTFFGLIKDRLA
EGPA
Ligand information
Ligand IDEF2
InChIInChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1
InChIKeyUEJJHQNACJXSKW-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O
CACTVS 3.385O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N1
OpenEye OEToolkits 1.9.2c1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O
CACTVS 3.385O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1
ACDLabs 12.01O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O
FormulaC13 H10 N2 O4
NameS-Thalidomide
ChEMBLCHEMBL426123
DrugBank
ZINCZINC000001530947
PDB chain4v32 Chain B Residue 151 [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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PDB4v32 Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N50 P51 F77 S78 W79 W85 W99 F101
Binding residue
(residue number reindexed from 1)		N31 P32 F58 S59 W60 W66 W80 F82
Annotation score1
Binding affinityBindingDB: Ki=4400nM,IC50=7800nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4v32, PDBe:4v32, PDBj:4v32
PDBsum4v32
PubMed25448889
UniProtA4TVL0

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