MolNFT v1 · #101535 · protein
Crystal structure of the first bromodomain of human BRD4 in complex with MS436 inhibitor
4NUD · Bromodomain-containing protein 4: “Crystal structure of the first bromodomain of human BRD4 in complex with MS436 inhibitor”. X-ray diffraction, 1 ligand (NUD), 1 pocket (best druggability 0.52). MolNFT v1 #101535 on GenesisL1: 3D…
- PDB
- 4NUD
- 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
- NUD
- Pockets
- 1 · best druggability 0.52
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
- NUD · 4-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide · ligand · chains A
- EDO · 1,2-ethanediol · 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 | 98 | 0.52 | 0.83 | 19 | NUD |
Compared structures
- 4NUD · Crystal structure of the first bromodomain of human BRD4 in complex with MS436 inhibitor · 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 0.98
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 4NUD · PDBe 4NUD · UniProt O60885
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