Research workbench
Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-methyl-quinoline ligand
Analyse Crystal Structure of the first bromodomain of human BRD4 in complex with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MEO
- Type
- protein
- Length
- 127 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.72
- Source
- Homo sapiens
- Molecule
- Bromodomain-containing protein 4
- UniProt
- O60885
- Ligands
- 25V
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · resolution 1.72 · 1 distinct chain · 52% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 4 | protein | 127 | 52% helix, 0% strand | O60885 |
Ligands and binding sites
- 25V · N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide · ligand · chains A
- EDO · 1,2-ethanediol · additive · chains A
- DMS · Dimethyl sulfoxide · 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 | 99 | 0.56 | 0.84 | 20 | 25V |
Compared structures
- 4MEO · Crystal structure of the first bromodomain of human BRD4 in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
- O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 4MEO · PDBe 4MEO · UniProt O60885
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