MolNFT v1 · #142920 · protein
Crystal structure of BRD4 in complex with isoliquiritigenin and dmso (cocktail no. 3)
6AJV · Bromodomain-containing protein 4: “Crystal structure of BRD4 in complex with isoliquiritigenin and dmso (cocktail no. 3)”. X-ray diffraction, 2 ligands (HCC, NA), 1 pocket (best druggability 0.53). MolNFT v1 #142920 on GenesisL1: 3D…
- PDB
- 6AJV
- Type
- protein
- Length
- 133 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 4
- UniProt
- O60885
- Ligands
- HCC, NA
- Pockets
- 1 · best druggability 0.53
Structure
x-ray diffraction · 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.