7R00: ATAD2

ATAD2 in complex with FragLite33. Determined by X-ray diffraction at 1.48 Å resolution. Released 7 Dec 2022.

Method: X-ray diffraction
Resolution: 1.48 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,368
Mol. weight: 16.26 kDa
Ligands: HWC
Released: 7 Dec 2022

Explore 7R00 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7R00 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

>7R00_1 ATPase family AAA domain-containing protein 2 (chains AAA)
SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKI
DLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFE
QLCEEIQESR

Ligands and cofactors

ID	Name	Formula	Copies
HWC	3-azanyl-5-bromanyl-1-methyl-pyridin-2-one	C6 H7 Br N2 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
7QYK 1.43 Å, ATAD2 in complex with FragLite18
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

Browse structure collections

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