MolNFT v1 · #116058 · protein
First bromodomain of BRD4 bound to inhibitor XD27
5D25 · Bromodomain-containing protein 4: “First bromodomain of BRD4 bound to inhibitor XD27”. X-ray diffraction, 1 ligand (56M), 1 pocket (best druggability 0.55). MolNFT v1 #116058 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5D25
- Type
- protein
- Length
- 124 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 4
- UniProt
- O60885
- Ligands
- 56M
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 4 | protein | 124 | 54% helix, 0% strand | O60885 |
Ligands and binding sites
- 56M · 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide · ligand · chains A
- GOL · Glycerol · additive · chains A
- BU3 · (R,R)-2,3-butanediol · additive · 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 | 128 | 0.55 | 0.82 | 26 | 56M |
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 5D25 · PDBe 5D25 · UniProt O60885
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