Structure of PDB 7za9 Chain AAA Binding Site BS01

Receptor Information
>7za9 Chain AAA (length=129) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDA
VKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIY
NKPGDDIVLMAEALEKLFLQKINELPTEE
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 chain7za9 Chain AAA Residue 206 [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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PDB7za9 Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
Resolution1.05 Å
Binding residue
(original residue number in PDB)		Q78 W81
Binding residue
(residue number reindexed from 1)		Q39 W42
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7za9, PDBe:7za9, PDBj:7za9
PDBsum7za9
PubMed36367089
UniProtO60885|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

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