Structure of PDB 7quk Chain AAA Binding Site BS01

Receptor Information
>7quk 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 IDBYZ
InChIInChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKeyWVGCPEDBFHEHEZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c(cn[nH]1)Br
CACTVS 3.370Brc1c[nH]nc1
ACDLabs 12.01Brc1cnnc1
FormulaC3 H3 Br N2
Name4-bromo-1H-pyrazole
ChEMBLCHEMBL4440111
DrugBank
ZINCZINC000000967315
PDB chain7quk Chain AAA Residue 1203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7quk Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
Resolution1.47 Å
Binding residue
(original residue number in PDB)		F992 N995
Binding residue
(residue number reindexed from 1)		F14 N17
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
External links
PDB RCSB:7quk, PDBe:7quk, PDBj:7quk
PDBsum7quk
PubMed36367089
UniProtQ6PL18|ATAD2_HUMAN ATPase family AAA domain-containing protein 2 (Gene Name=ATAD2)

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