MolNFT v1 · #149435 · protein
BRD4 (BD1) in complex with apsc-derived ligands (E.G. sulfasalazine)
6G0G · Bromodomain-containing protein 4: “BRD4 (BD1) in complex with apsc-derived ligands (E.G. sulfasalazine)”. X-ray diffraction, 1 ligand (SAS), 1 pocket (best druggability 0.51). MolNFT v1 #149435 on GenesisL1: 3D structure, binding…
- PDB
- 6G0G
- 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
- SAS
- Pockets
- 1 · best druggability 0.51
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 | 125 | 54% helix, 0% strand | O60885 |
Ligands and binding sites
- SAS · 2-hydroxy-(5-([4-(2-pyridinylamino)sulfonyl]phenyl) azo)benzoic acid · ligand · chains A
- EDO · 1,2-ethanediol · additive · chains A
- FMT · Formic acid · 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 | 106 | 0.51 | 0.81 | 17 | DMS |
Compared structures
- 6G0G · BRD4 (BD1) in complex with APSC-derived ligands (e.g. sulfasalazine) · 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 6G0G · PDBe 6G0G · UniProt O60885
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