7QYK: ATAD2

ATAD2 in complex with FragLite18. Determined by X-ray diffraction at 1.43 Å resolution. Released 22 Mar 2023.

Method: X-ray diffraction
Resolution: 1.43 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,333
Mol. weight: 16.37 kDa
Ligands: IJF
Released: 22 Mar 2023

Explore 7QYK in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7QYK contains 8 α-helices and 0 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain AAA: 8 helices, 0 β-strands

Element	Residues	Length
α-helix	980-1001	22
α-helix	1004-1009	6
α-helix	1012-1014	3
α-helix	1021-1024	4
α-helix	1031-1039	9
α-helix	1046-1063	18
α-helix	1069-1092	24
α-helix	1095-1106	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
ATPase family AAA domain-containing protein 2	AAA	protein	130	Homo sapiens	Q6PL18 (AlphaFold model)

Sequence of entity 1 (AAA), FASTA

>7QYK_1 ATPase family AAA domain-containing protein 2 (chains AAA)
SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKI
DLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFE
QLCEEIQESR

Ligands and cofactors

ID	Name	Formula	Copies
IJF	(4-bromanylpyridin-2-yl)methanol	C6 H6 Br N O	1

Water and common crystallization additives (EDO, CL, SO4) are not listed.

Primary citation

Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. Davison, G., Martin, M.P., Turberville, S. et al. J Med Chem (2022) 65:15416-15432. DOI 10.1021/acs.jmedchem.2c01357 · PubMed

Other PDB entries of the same protein (UniProt Q6PL18 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5R4V 1.29 Å, XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in…
7Z9H 1.34 Å, ATAD2 in complex with PepLite-Asp
7Z9N 1.34 Å, ATAD2 in complex with PepLite-Val
7PPX 1.35 Å, ATAD2 in complex with FragLite3
8RU5 1.36 Å, ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E
5R4X 1.4 Å, XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in…
5QXN 1.41 Å, PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF826
5QXP 1.41 Å, PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ732
7R0Y 1.43 Å, ATAD2 in complex with PepLite-Glu
5R4F 1.44 Å, PanDDA analysis group deposition of ground-state model of ATAD2
7QYL 1.44 Å, ATAD2 in complex with FragLite23
7QZM 1.45 Å, ATAD2 in complex with FragLite28

Browse structure collections

About this viewer

MolViewer shows 7QYK directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.