MolNFT v1 · #170063 · protein
Crystal structure of BRD4-BD1 with compound 1
6XVC · Bromodomain-containing protein 4: “Crystal structure of BRD4-BD1 with compound 1”. X-ray diffraction, 1 ligand (O32), 1 pocket (best druggability 0.51). MolNFT v1 #170063 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6XVC
- Type
- protein
- Length
- 125 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 4
- UniProt
- O60885
- Ligands
- O32
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Bromodomain-containing protein 4 | protein | 125 | 53% helix, 0% strand | O60885 |
Ligands and binding sites
- O32 · (4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one · ligand · chains B
- EDO · 1,2-ethanediol · additive · 2 copies · chains B
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 | 105 | 0.51 | 0.81 | 18 | O32 |
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 6XVC · PDBe 6XVC · UniProt O60885
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