MolNFT v1 · #186911 · protein
Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844
7RUI: “Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844”. X-ray diffraction, 1 ligand (7QZ), 1 pocket (best druggability 0.54). MolNFT v1 #186911 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7RUI
- Type
- protein
- Length
- 127 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 4
- UniProt
- O60885
- Ligands
- 7QZ
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 4 | protein | 127 | 57% helix, 0% strand | O60885 |
Ligands and binding sites
- 7QZ · N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide · ligand · 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 | 147 | 0.54 | 0.81 | 29 | 7QZ |
Compared structures
- 7RUI · Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844 · 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 0.98
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 7RUI · PDBe 7RUI · UniProt O60885
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