MolNFT v1 · #118487 · protein
Crystal structure of the bromodomain of human ATAD2 in complex with compound A14
5F3A · ATPase family aaa domain-containing protein 2: “Crystal structure of the bromodomain of human ATAD2 in complex with compound A14”. X-ray diffraction, 2 ligands (5U9, SO4), 1 pocket (best druggability 0.47). MolNFT v1 #118487 on…
- PDB
- 5F3A
- 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
- 5U9, SO4
- Pockets
- 1 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 74% 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 | 74% helix, 0% strand | Q6PL18 |
Ligands and binding sites
- 5U9 · ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide · ligand · 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 | 95 | 0.47 | 0.80 | 19 | 5U9 |
Compared structures
- 5F3A · Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14 · 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 5F3A · PDBe 5F3A · UniProt Q6PL18
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