Structure of PDB 7qxt Chain AAA Binding Site BS01

Receptor Information
>7qxt 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 ID1P8
InChIInChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKeyJARRYVQFBQVOBE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Brc1ccc2c(c1)NC(=O)C2
OpenEye OEToolkits 1.7.6c1cc2c(cc1Br)NC(=O)C2
CACTVS 3.370Brc1ccc2CC(=O)Nc2c1
FormulaC8 H6 Br N O
Name6-bromo-1,3-dihydro-2H-indol-2-one
ChEMBLCHEMBL2381492
DrugBank
ZINCZINC000002577874
PDB chain7qxt Chain AAA Residue 1203 [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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PDB7qxt Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
Resolution1.51 Å
Binding residue
(original residue number in PDB)		T1023 V1024 K1026
Binding residue
(residue number reindexed from 1)		T45 V46 K48
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
External links
PDB RCSB:7qxt, PDBe:7qxt, PDBj:7qxt
PDBsum7qxt
PubMed36367089
UniProtQ6PL18|ATAD2_HUMAN ATPase family AAA domain-containing protein 2 (Gene Name=ATAD2)

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