Structure of PDB 7qzz Chain AAA Binding Site BS01

Receptor Information
>7qzz 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 IDHHT
InChIInChI=1S/C9H9BrO3/c1-13-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyRNRCAQYXOAHKGD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cc(Br)ccc1CC(O)=O
OpenEye OEToolkits 2.0.6COc1cc(ccc1CC(=O)O)Br
FormulaC9 H9 Br O3
Name2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid
ChEMBL
DrugBank
ZINCZINC000079362741
PDB chain7qzz Chain AAA Residue 1206 [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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PDB7qzz Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		V1046 E1095
Binding residue
(residue number reindexed from 1)		V68 E117
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
External links
PDB RCSB:7qzz, PDBe:7qzz, PDBj:7qzz
PDBsum7qzz
PubMed36367089
UniProtQ6PL18|ATAD2_HUMAN ATPase family AAA domain-containing protein 2 (Gene Name=ATAD2)

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