Structure of PDB 4v30 Chain B Binding Site BS02

Receptor Information
>4v30 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
IGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLA
EGPA
Ligand information
Ligand IDLVY
InChIInChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m0/s1
InChIKeyGOTYRUGSSMKFNF-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1cccc2C(=O)N(Cc12)[C@H]3CCC(=O)NC3=O
OpenEye OEToolkits 1.9.2c1cc2c(c(c1)N)CN(C2=O)C3CCC(=O)NC3=O
OpenEye OEToolkits 1.9.2c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O
ACDLabs 12.01O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3)N
CACTVS 3.385Nc1cccc2C(=O)N(Cc12)[CH]3CCC(=O)NC3=O
FormulaC13 H13 N3 O3
NameS-Lenalidomide
ChEMBL
DrugBank
ZINCZINC000001997127
PDB chain4v30 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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PDB4v30 Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		N50 P51 F77 W79 W85 W99 Y101
Binding residue
(residue number reindexed from 1)		N31 P32 F58 W60 W66 W80 Y82
Annotation score1
Binding affinityBindingDB: Ki=3100nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4v30, PDBe:4v30, PDBj:4v30
PDBsum4v30
PubMed25448889
UniProtA4TVL0

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