MolNFT v1 · #115931 · protein
Crystal structure of the first bromodomain of human BRD4 in complex with BENZO[CD]INDOL-2(1H)-one ligand
5CY9 · Bromodomain-containing protein 4: “Crystal structure of the first bromodomain of human BRD4 in complex with BENZO[CD]INDOL-2(1H)-one ligand”. X-ray diffraction, 1 ligand (E0A), 1 pocket (best druggability 0.55). MolNFT v1 #115931 on…
- PDB
- 5CY9
- Type
- protein
- Length
- 131 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 4
- UniProt
- O60885
- Ligands
- E0A
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 4 | protein | 131 | 51% helix, 0% strand | O60885 |
Ligands and binding sites
- E0A · N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide · ligand · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
- GOL · Glycerol · 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 | 91 | 0.55 | 0.84 | 17 | E0A |
Compared structures
- 5CY9 · Crystal Structure of the first bromodomain of human BRD4 in complex with… · 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 5CY9 · PDBe 5CY9 · UniProt O60885
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