MolNFT v1 · #87924 · protein
N-terminal bromodomain of human BRD4 with LY294002
4CFK · BRD4 protein: “N-terminal bromodomain of human BRD4 with LY294002”. X-ray diffraction, 1 ligand (LY2), 1 pocket (best druggability 0.49). MolNFT v1 #87924 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4CFK
- Type
- protein
- Length
- 127 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BRD4 protein
- UniProt
- Q6NXE4
- Ligands
- LY2
- Pockets
- 1 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BRD4 protein | protein | 127 | 53% helix, 0% strand | Q6NXE4 |
Ligands and binding sites
- LY2 · 2-morpholin-4-yl-7-phenyl-4H-chromen-4-one · ligand · chains A
- GOL · Glycerol · additive · chains A
- EDO · 1,2-ethanediol · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 114 | 0.49 | 0.80 | 20 | LY2 |
Compared structures
- 4CFK · N-terminal bromodomain of human BRD4 with LY294002 · the same entry in another collection · chain A against A, TM-score 1.00
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 Q6NXE4
- Elsewhere: RCSB PDB 4CFK · PDBe 4CFK · UniProt Q6NXE4
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