Structure of PDB 7qzy Chain AAA Binding Site BS01

Receptor Information
>7qzy Chain AAA (length=130) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQP
MDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRA
CALRDTAYAIIKEELDEDFEQLCEEIQESR
Ligand information
Ligand IDV3U
InChIInChI=1S/C8H10BrNO2/c1-12-5-4-10-3-2-7(9)6-8(10)11/h2-3,6H,4-5H2,1H3
InChIKeyDIGIWFMOFFHOCA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COCCN1C=CC(=CC1=O)Br
FormulaC8 H10 Br N O2
Name4-bromanyl-1-(2-methoxyethyl)pyridin-2-one
ChEMBL
DrugBank
ZINCZINC000255187404
PDB chain7qzy Chain AAA Residue 1211 [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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PDB7qzy Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		R1075 H1076 C1079
Binding residue
(residue number reindexed from 1)		R97 H98 C101
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
External links
PDB RCSB:7qzy, PDBe:7qzy, PDBj:7qzy
PDBsum7qzy
PubMed36367089
UniProtQ6PL18|ATAD2_HUMAN ATPase family AAA domain-containing protein 2 (Gene Name=ATAD2)

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