Structure of PDB 5yj1 Chain n Binding Site BS01

Receptor Information
>5yj1 Chain n (length=91) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSLCCKQCQETEITTKNEIFSLSHETLTVYKASNLNLIGRPSTVHSWFPG
YAWTIAQCKICASHIGWKFTATKKDMSPQKFWGLTRSALLP
Ligand information
Ligand ID6EL
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-/m1/s1
InChIKeyUEJJHQNACJXSKW-SECBINFHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N1
OpenEye OEToolkits 2.0.4c1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O
OpenEye OEToolkits 2.0.4c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O
CACTVS 3.385O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1
FormulaC13 H10 N2 O4
Name2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione
ChEMBLCHEMBL558551
DrugBank
ZINCZINC000001530948
PDB chain5yj1 Chain n Residue 501 [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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PDB5yj1 Structural basis of thalidomide enantiomer binding to cereblon
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H381 S382 W383 W389 W403 F405
Binding residue
(residue number reindexed from 1)		H45 S46 W47 W53 W67 F69
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5yj1, PDBe:5yj1, PDBj:5yj1
PDBsum5yj1
PubMed29358579
UniProtQ8C7D2|CRBN_MOUSE Protein cereblon (Gene Name=Crbn)

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