Research workbench
The ATAD2 bromodomain in complex with compound uzh-DU32
Analyse The ATAD2 bromodomain in complex with compound uzh-DU32 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6EPW
- 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
- BQ8, SO4
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 73% 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 | 73% helix, 0% strand | Q6PL18 |
Ligands and binding sites
- BQ8 · (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1, 3-thiazol-2-yl]-2-carbamimidamido-propanamide · ligand · 2 copies · chains A
- SO4 · Sulfate ion · ion · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.46 | 0.79 | 18 | BQ8 |
Compared structures
- 6EPW · The ATAD2 bromodomain in complex with compound UZH-DU32 · 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 6EPW · PDBe 6EPW · UniProt Q6PL18
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