Research workbench
Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3)
Analyse Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6AJV
- Type
- protein
- Length
- 133 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.45
- Source
- Homo sapiens
- Molecule
- Bromodomain-containing protein 4
- UniProt
- O60885
- Ligands
- HCC, NA
- Pockets
- 1 · best druggability 0.53
Structure
x-ray diffraction · resolution 1.45 · 1 distinct chain · 50% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 4 | protein | 133 | 50% helix, 0% strand | O60885 |
Ligands and binding sites
- HCC · 2',4,4'-trihydroxychalcone · ligand · chains A
- NA · Sodium ion · metal · 3 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 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 | 120 | 0.53 | 0.81 | 21 | HCC, DMS |
Compared structures
- 6AJV · Crystal structure of BRD4 in complex with isoliquiritigenin and dmso (cocktail no. 3) · the same entry in another collection · chain A against A, TM-score 1.00
- O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 O60885
- Elsewhere: RCSB PDB 6AJV · PDBe 6AJV · UniProt O60885
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.