MolNFT v1 · #146633 · protein
Crystal structure of human bromodomain-containing protein 4 (BRD4) bromodomain with MS660
6DNE: “Crystal structure of human bromodomain-containing protein 4 (BRD4) bromodomain with MS660”. X-ray diffraction, 1 ligand (H1V), 3 pockets (best druggability 0.51). MolNFT v1 #146633 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6DNE
- Type
- protein
- Length
- 247 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 4
- UniProt
- O60885
- Ligands
- H1V
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 4 | protein | 124 | 57% helix, 0% strand | O60885 |
| B | Bromodomain-containing protein 4 | protein | 123 | 46% helix, 0% strand | O60885 |
Ligands and binding sites
- H1V · N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3, 2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.51 | 0.79 | 19 | empty |
| 2 | 113 | 0.50 | 0.80 | 18 | empty |
| 3 | 100 | 0.34 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 46 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6DNE · Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS660 · 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 0.99
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 6DNE · PDBe 6DNE · UniProt O60885
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.