Structure of PDB 7qx1 Chain AAA Binding Site BS02

Receptor Information
>7qx1 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 IDHHQ
InChIInChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2
InChIKeyGRVSGGNZRNHMQI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1C(=CC=NC1=O)I
CACTVS 3.385IC1=CC=NC(=O)C1
FormulaC5 H4 I N O
Name4-iodanyl-3~{H}-pyridin-2-one
ChEMBL
DrugBank
ZINC
PDB chain7qx1 Chain AAA Residue 1204 [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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PDB7qx1 Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
Resolution1.49 Å
Binding residue
(original residue number in PDB)		V1008 V1013 Y1063 N1064 I1074
Binding residue
(residue number reindexed from 1)		V30 V35 Y85 N86 I96
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
External links
PDB RCSB:7qx1, PDBe:7qx1, PDBj:7qx1
PDBsum7qx1
PubMed36367089
UniProtQ6PL18|ATAD2_HUMAN ATPase family AAA domain-containing protein 2 (Gene Name=ATAD2)

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