Structure of PDB 6ew6 Chain A Binding Site BS01

Receptor Information
>6ew6 Chain A (length=123) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSQIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSG
LFYSIFTDQLKRNLSVINLDPEINPEGFNILLDFMYTSRLNLREGNIMAV
MATAMYLQMEHVVDTARKFIKAS
Ligand information
Ligand IDC0H
InChIInChI=1S/C9H8ClN5/c10-6-3-1-2-4-7(6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChIKeyKKDOZPQOEFYIRU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1ncnc(Nc2ccccc2Cl)n1
OpenEye OEToolkits 2.0.6c1ccc(c(c1)Nc2ncnc(n2)N)Cl
FormulaC9 H8 Cl N5
Name~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
ChEMBLCHEMBL1721570
DrugBank
ZINCZINC000000089429
PDB chain6ew6 Chain A Residue 201 [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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PDB6ew6 Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6.
Resolution1.39 Å
Binding residue
(original residue number in PDB)		M51 A52 C53 G55 Y58
Binding residue
(residue number reindexed from 1)		M46 A47 C48 G50 Y53
Annotation score1
Binding affinityMOAD: Kd>829uM
PDBbind-CN: -logKd/Ki=3.08,Kd>829uM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6ew6, PDBe:6ew6, PDBj:6ew6
PDBsum6ew6
PubMed30335946
UniProtP41182|BCL6_HUMAN B-cell lymphoma 6 protein (Gene Name=BCL6)

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