Research workbench
Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22)
Analyse Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7Q6W
- Type
- protein
- Length
- 130 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.96
- Source
- Homo sapiens
- Molecule
- ATPase family AAA domain-containing protein 2
- EC
- 3.6.1.3
- UniProt
- Q6PL18
- Ligands
- 93L, SO4
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · resolution 1.96 · 1 distinct chain · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATPase family AAA domain-containing protein 2 (EC 3.6.1.3) | protein | 130 | 71% helix, 0% strand | Q6PL18 |
Ligands and binding sites
- 93L · (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl) amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one · ligand · chains A
- SO4 · Sulfate ion · ion · 3 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.51 | 0.80 | 20 | 93L |
Compared structures
- 7Q6W · Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) · 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 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q6PL18
- Elsewhere: RCSB PDB 7Q6W · PDBe 7Q6W · UniProt Q6PL18
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