Structure of PDB 7qzm Chain AAA Binding Site BS01

Receptor Information
>7qzm 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 IDUUS
InChIInChI=1S/C7H8BrNO2/c8-6-1-2-9(3-4-10)7(11)5-6/h1-2,5,10H,3-4H2
InChIKeyGQPBXJHZWYTNFM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=CN(C(=O)C=C1Br)CCO
CACTVS 3.385OCCN1C=CC(=CC1=O)Br
ACDLabs 12.01C=1C(Br)=CC(N(C=1)CCO)=O
FormulaC7 H8 Br N O2
Name4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one
ChEMBL
DrugBank
ZINC
PDB chain7qzm Chain AAA Residue 1212 [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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PDB7qzm Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		H998 I1035
Binding residue
(residue number reindexed from 1)		H20 I57
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
External links
PDB RCSB:7qzm, PDBe:7qzm, PDBj:7qzm
PDBsum7qzm
PubMed36367089
UniProtQ6PL18|ATAD2_HUMAN ATPase family AAA domain-containing protein 2 (Gene Name=ATAD2)

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