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MolNFT v1 · #105041 · protein

Structure of the bromodomain of human ATPase family aaa domain- containing protein 2 (ATAD2) in complex with 3'-deoxy thymidine

4QSX · ATPase family aaa domain-containing protein 2: “Structure of the bromodomain of human ATPase family aaa domain- containing protein 2 (ATAD2) in complex with…”. X-ray diffraction, 2 ligands (38S, SO4), 1 pocket (best druggability…

PDB
4QSX
Type
protein
Length
130 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATPase family aaa domain-containing protein 2
EC
3.6.1.3
UniProt
Q6PL18
Ligands
38S, SO4
Pockets
1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATPase family aaa domain-containing protein 2 (EC 3.6.1.3)protein13073% helix, 0% strandQ6PL18

Ligands and binding sites

  • 38S · 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1810.470.811738S

Compared structures

  • 4QSX · Structure of the bromodomain of human ATPase family AAA domain-containing protein 2… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q6PL18 · AlphaFold monomer V2.0 prediction for ATPase family aaa domain- containing protein 2… · a predicted model of the same protein · chain A against A, TM-score 0.96

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