Structure of PDB 6vyj Chain A Binding Site BS02

Receptor Information
>6vyj Chain A (length=150) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMWDETELGLYKVNEYVDARDTNMGAWFEAQVVRVTRKAPSRDEPCSDVI
YHVKYDDYPENGVVQMNSRDVRARARTIIKWQDLEVGQVVMLNYNPDNPK
ERGFWYDAEISRKRETRTARELYANVVLGDDSLNDCRIIFVDEVFKIERP
Ligand information
Ligand IDRVV
InChIInChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3
InChIKeyJYYNAJVZFGKDEQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccnc(c1)C
ACDLabs 12.01Cc1cc(C)ncc1
CACTVS 3.385Cc1ccnc(C)c1
FormulaC7 H9 N
Name2,4-dimethylpyridine
ChEMBLCHEMBL5286019
DrugBank
ZINCZINC000008294954
PDB chain6vyj Chain A Residue 302 [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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PDB6vyj Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery.
Resolution1.39 Å
Binding residue
(original residue number in PDB)		D145 M148 F152 Y188 Y191
Binding residue
(residue number reindexed from 1)		D21 M24 F28 Y55 Y58
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
External links
PDB RCSB:6vyj, PDBe:6vyj, PDBj:6vyj
PDBsum6vyj
PubMed33441849
UniProtQ96T88|UHRF1_HUMAN E3 ubiquitin-protein ligase UHRF1 (Gene Name=UHRF1)

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