MolNFT v1 · #140860 · protein
Crystal structure of BRD4-BD1 bound with HJP64
5YOU · Bromodomain-containing protein 4: “Crystal structure of BRD4-BD1 bound with HJP64”. X-ray diffraction, 1 ligand (8XX), 1 pocket (best druggability 0.57). MolNFT v1 #140860 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5YOU
- Type
- protein
- Length
- 123 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 4
- UniProt
- O60885
- Ligands
- 8XX
- Pockets
- 1 · best druggability 0.57
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 | 123 | 57% helix, 0% strand | O60885 |
Ligands and binding sites
- 8XX · (3~{R})-4-cyclopropyl-~{N},1,3-trimethyl-~{N}-(4-methylphenyl)-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide · 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 | 124 | 0.57 | 0.83 | 22 | 8XX |
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 5YOU · PDBe 5YOU · UniProt O60885
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