MolNFT v1 · #161612 · protein
Crystal structure of human bromodomain containing protein 3 (BRD3) in complex with 3-bromo-1H-indazol-5-amine
6QJU · Bromodomain-containing protein 3: “Crystal structure of human bromodomain containing protein 3 (BRD3) in complex with 3-bromo-1H-indazol-5-amine”. X-ray diffraction, 3 ligands (J58, NA, SCN), 3 pockets (best druggability 0.59).…
- PDB
- 6QJU
- Type
- protein
- Length
- 231 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 3
- UniProt
- Q15059
- Ligands
- J58, NA, SCN
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 3 | protein | 111 | 60% helix, 0% strand | Q15059 |
| B | Bromodomain-containing protein 3 | protein | 120 | 56% helix, 0% strand | Q15059 |
Ligands and binding sites
- J58 · 3-bromanyl-2~{H}-indazol-5-amine · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains B
- SCN · Thiocyanate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
- DMS · Dimethyl sulfoxide · 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 | 261 | 0.59 | 0.79 | 29 | empty |
| 2 | 100 | 0.51 | 0.82 | 18 | DMS |
| 3 | 109 | 0.50 | 0.80 | 19 | J58 |
Interfaces
1 interface between chains.
- A–B · 888 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6QJU · Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with… · 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 A against A, TM-score 0.93
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
- Elsewhere: RCSB PDB 6QJU · PDBe 6QJU · UniProt Q15059
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