MolNFT v1 · #135965 · protein
BRD4_BD2_A-1395017
5UEO · Bromodomain-containing protein 4: “BRD4_BD2_A-1395017”. X-ray diffraction, 1 ligand (87G), 3 pockets (best druggability 0.53). MolNFT v1 #135965 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5UEO
- Type
- protein
- Length
- 217 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 4
- UniProt
- O60885
- Ligands
- 87G
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 4 | protein | 108 | 73% helix, 0% strand | O60885 |
| B | Bromodomain-containing protein 4 | protein | 109 | 72% helix, 0% strand | O60885 |
Ligands and binding sites
- 87G · N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl) phenyl]ethanesulfonamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.53 | 0.81 | 24 | 87G |
| 2 | 95 | 0.52 | 0.83 | 19 | 87G |
| 3 | 281 | 0.51 | 0.74 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 743 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
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 5UEO · PDBe 5UEO · UniProt O60885
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