Structure of PDB 8og5 Chain A Binding Site BS01

Receptor Information

>8og5 Chain A (length=297) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FRPISVFREANEDESGFTCCAFSARERFLMLGTCTGQLKLYNVFSGQEEA
SYNCHNSAITHLEPSRDGSLLLTSATWSQPLSALWGMKSVFDMKHSFTED
HYVEFSKHSQDRVIGTKGDIAHIYDIQTGNKLLTLFNPDLANNYKRNCAT
FNPTDDLVLNDGVLWDVRSALAIHKFDKFNMNISGVFHPNGLEVIINTEI
WDLRTFHLLHTVPALDQCRVVFNHTGTVMYGAMLQADDSSFRTFNATDYK
PIATIDVKRNIFDLCTDTKDCYLAVIENQGSMDALNMDTVCRLYEVG

Ligand information

Ligand ID

LQH

InChI

InChI=1S/C17H13FN2/c18-15-8-4-3-7-14(15)16-11-12-5-1-2-6-13(12)17-19-9-10-20(16)17/h1-8,11H,9-10H2

InChIKey

CRASKXTVWBAFRS-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F
CACTVS 3.385	Fc1ccccc1C2=Cc3ccccc3C4=NCCN24

Formula

C17 H13 F N2

Name

5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline

PDB chain

8og5 Chain A Residue 1503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8og5 Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	T1139 R1298 L1313 A1315 D1316 D1356
Binding residue (residue number reindexed from 1)	T60 R219 L234 A236 D237 D263
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.7.11.1: non-specific serine/threonine protein kinase.

Gene Ontology

	Biological Process
GO:0016567	protein ubiquitination

View graph for
Biological Process

External links

PDB	RCSB:8og5, PDBe:8og5, PDBj:8og5
PDBsum	8og5
PubMed	37465299
UniProt	Q9Y4B6\|DCAF1_HUMAN DDB1- and CUL4-associated factor 1 (Gene Name=DCAF1)

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