Structure of PDB 5yiz Chain Y Binding Site BS01

Receptor Information
>5yiz Chain Y (length=94) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPTSLCCKQCQETEITTKNEIFSLSLHETLTVYKASNLNLIGRPSTVHSW
FPGYAWTIAQCKICASHIGWKFTATKKDMSPQKFWGLTRSALLP
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 chain5yiz Chain Y 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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PDB5yiz 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)		H48 S49 W50 W56 W70 F72
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5yiz, PDBe:5yiz, PDBj:5yiz
PDBsum5yiz
PubMed29358579
UniProtQ8C7D2|CRBN_MOUSE Protein cereblon (Gene Name=Crbn)

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