MolNFT v1 · #136527 · protein
BRD4 bromodomain 2 with a-1457066
5UVV · Bromodomain-containing protein 4: “BRD4 bromodomain 2 with a-1457066”. X-ray diffraction, 1 ligand (8NS), 3 pockets (best druggability 0.59). MolNFT v1 #136527 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5UVV
- Type
- protein
- Length
- 218 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 4
- UniProt
- O60885
- Ligands
- 8NS
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bromodomain-containing protein 4 | protein | 109 | 72% helix, 0% strand | O60885 |
Ligands and binding sites
- 8NS · 7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 336 | 0.59 | 0.77 | 35 | empty |
| 2 | 106 | 0.50 | 0.81 | 22 | 8NS |
| 3 | 117 | 0.48 | 0.79 | 20 | 8NS |
Interfaces
1 interface between chains.
- A–B · 742 Ų buried · 0 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 5UVV · PDBe 5UVV · UniProt O60885
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