Structure of PDB 7qx1 Chain AAA Binding Site BS01

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

InChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2

GRVSGGNZRNHMQI-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	C1C(=CC=NC1=O)I
CACTVS 3.385	IC1=CC=NC(=O)C1

Formula

C5 H4 I N O

Name

4-iodanyl-3~{H}-pyridin-2-one

PDB chain

7qx1 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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Structure summary

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PDB	7qx1 Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
Resolution	1.49 Å
Binding residue (original residue number in PDB)	V1024 K1026
Binding residue (residue number reindexed from 1)	V46 K48
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7qx1, PDBe:7qx1, PDBj:7qx1
PDBsum	7qx1
PubMed	36367089
UniProt	Q6PL18\|ATAD2_HUMAN ATPase family AAA domain-containing protein 2 (Gene Name=ATAD2)

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