Structure of PDB 8bdy Chain A Binding Site BS01

Receptor Information
>8bdy Chain A (length=190) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPNEDWCAVCQNGGDLLCCEKCPKVFHLTCHVPTLLSFPSGDWICTFCRD
IGKPEVEYDCDNLQHSQGLSPVDQRKCERLLLYLYCHELSIEFQEPVPAS
IPNYYKIIKKPMDLSTVKKKLQKKHSQHYQIPDDFVADVRLIFKNCERFN
EMMKVVQVYADDSEVAQAGKAVALYFEDKLTEIYSDRTFA
Ligand information
Ligand IDQCU
InChIInChI=1S/C9H10N2O/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-6H,1-2H3
InChIKeyNOJXCBIUEXCLMZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CN1c2ccccc2N(C1=O)C
CACTVS 3.385CN1C(=O)N(C)c2ccccc12
FormulaC9 H10 N2 O
Name1,3-dimethylbenzimidazol-2-one
ChEMBLCHEMBL463734
DrugBank
ZINCZINC000000073681
PDB chain8bdy Chain A Residue 1101 [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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PDB8bdy Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.
Resolution3.05 Å
Binding residue
(original residue number in PDB)		E981 V986 F1038
Binding residue
(residue number reindexed from 1)		E92 V97 F149
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
External links
PDB RCSB:8bdy, PDBe:8bdy, PDBj:8bdy
PDBsum8bdy
PubMed36430693
UniProtQ9UPN9|TRI33_HUMAN E3 ubiquitin-protein ligase TRIM33 (Gene Name=TRIM33)

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