MolNFT v1 · #127696 · protein
BRPF2 in complex with compound 7
5N49 · Bromodomain-containing protein 1: “BRPF2 in complex with compound 7”. X-ray diffraction, 1 ligand (8LW), 3 pockets (best druggability 0.56). MolNFT v1 #127696 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5N49
- Type
- protein
- Length
- 236 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 1
- UniProt
- O95696
- Ligands
- 8LW
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 1 | protein | 122 | 69% helix, 0% strand | O95696 |
| B | Bromodomain-containing protein 1 | protein | 114 | 67% helix, 0% strand | O95696 |
Ligands and binding sites
- 8LW · 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl) benzo[de]isoquinoline-1,3-dione · ligand · chains 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 | 350 | 0.56 | 0.75 | 37 | empty |
| 2 | 86 | 0.51 | 0.83 | 17 | 8LW |
| 3 | 88 | 0.46 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 546 Ų buried · 9 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 O95696
- Elsewhere: RCSB PDB 5N49 · PDBe 5N49 · UniProt O95696
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