Structure of PDB 8bd8 Chain A Binding Site BS01

Receptor Information
>8bd8 Chain A (length=194) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNEDWCAVCQNGGDLLCCEKCPKVFHLTCHVPTLLSFPSGDWICTFCRDI
GKPEVEYDCDNLQHSKKGKTAQGLSPVDQRKCERLLLYLYCHELSIEFQE
PVPASIPNYYKIIKKPMDLSTVKKKLQKKHSQHYQIPDDFVADVRLIFKN
CERFNEMMKVVQVYADSEVAQAGKAVALYFEDKLTEIYSDRTFA
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 chain8bd8 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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PDB8bd8 Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.
Resolution3.1 Å
Binding residue
(original residue number in PDB)
E981 V986 P987 I990
Binding residue
(residue number reindexed from 1)
E97 V102 P103 I106
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
External links
PDB RCSB:8bd8, PDBe:8bd8, PDBj:8bd8
PDBsum8bd8
PubMed36430693
UniProtQ9UPN9|TRI33_HUMAN E3 ubiquitin-protein ligase TRIM33 (Gene Name=TRIM33)

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