MolNFT v1 · #186612 · protein
Crystal structure of human bromodomain containing protein 3 (BRD3) in complex with ILF3
7RJM · Bromodomain-containing protein 3: “Crystal structure of human bromodomain containing protein 3 (BRD3) in complex with ILF3”. X-ray diffraction, 3 pockets (best druggability 0.60). MolNFT v1 #186612 on GenesisL1: 3D structure…
- PDB
- 7RJM
- Type
- protein
- Length
- 236 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 3; Interleukin enhancer-binding factor 3
- UniProt
- Q15059, Q12906
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 58% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 3 | protein | 110 | 60% helix, 0% strand | Q15059 |
| B | Bromodomain-containing protein 3 | protein | 120 | 59% helix, 0% strand | Q15059 |
| C | Interleukin enhancer-binding factor 3 | protein | 6 | 0% helix, 0% strand | Q12906 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 273 | 0.60 | 0.79 | 31 | empty |
| 2 | 102 | 0.50 | 0.81 | 20 | EDO |
| 3 | 94 | 0.38 | 0.76 | 28 | empty |
Interfaces
2 interfaces between chains.
- A–B · 878 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 454 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (acetylation).
Compared structures
- 7RJM · Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with ILF3 · the same entry in another collection · chain A against A, TM-score 1.00
- Q15059 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 3 (Q15059) · a predicted model of the same protein · chain B against A, TM-score 0.98
- Q12906 · AlphaFold monomer V2.0 prediction for interleukin enhancer-binding factor 3 (Q12906) · a predicted model of the same protein · chain C against A, TM-score 0.44
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 Q15059
- Every structure of UniProt Q12906
- Elsewhere: RCSB PDB 7RJM · PDBe 7RJM · UniProt Q15059 · UniProt Q12906
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